SCHEMBL10311684

SCHEMBL10311684

CC(C)C(=O)NCCc1ccccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.64
ATM Q13315 1/20 0.64
TAS1R3 Q7RTX0 2/20 0.60
TAS1R1 Q7RTX1 2/20 0.60
ALDH1A1 P00352 3/20 0.59
KMT2A Q03164 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MEN1 O00255 1/20 0.59
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
HRH3 Q9Y5N1 1/20 0.56
LMNA P02545 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
RAB9A P51151 2/20 0.55
TAAR1 Q96RJ0 1/20 0.54
ALOX15 P16050 1/20 0.54
CNR1 P21554 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10558453 0.88 HTT (0.62) HTTATMTAS1R3TAS1R1ALDH1A1
SCHEMBL1106991 0.84 SMN1; SMN2 (0.69) ALDH1A1KMT2ASMN1; SMN2MEN1CYP1A2
SCHEMBL7909421 0.83 ALDH1A1 (0.58) HTTATMTAS1R3TAS1R1ALDH1A1
SCHEMBL10448601 0.82 HTT (0.56) HTTATMTAS1R3TAS1R1ALDH1A1
SCHEMBL13645766 0.82 ALDH1A1 (0.70) HTTATMTAS1R3TAS1R1ALDH1A1
SCHEMBL48652 0.82 HRH3 (0.61) HTTATMTAS1R3TAS1R1ALDH1A1
SCHEMBL13115919 0.81 CHRM2 (0.57) HTTATMALDH1A1KMT2ASMN1; SMN2
SCHEMBL1256540 0.81 TAS1R3 (0.56) HTTATMTAS1R3TAS1R1ALDH1A1
SCHEMBL22282079 0.81 TAS1R3 (0.58) HTTATMTAS1R3TAS1R1ALDH1A1
SCHEMBL1255605 0.80 POLB (0.67) HTTATMTAS1R3TAS1R1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119419-A1 BYCYCLIC JAK INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (HK) 2022-04-21 US disclosed
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 US disclosed
US-8481750-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-α]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-09 US disclosed
US-8481750-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-α]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-09 US disclosed
US-8318718-B2 Pyridine and pyrimidine derivatives as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2012-11-27 US disclosed
US-20120277209-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2012-11-01 US disclosed
US-7691879-B2 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-04-06 US disclosed
US-7608618-B2 Urea or thiourea substituted 1,4-pyrazine compounds useful as anti-cancer agents and for inhibiting Chk1 ICOS CORPORATION (US) 2009-10-27 US disclosed
US-7608618-B2 Urea or thiourea substituted 1,4-pyrazine compounds useful as anti-cancer agents and for inhibiting Chk1 ICOS CORPORATION (US) 2009-10-27 US disclosed
US-20080249081-A1 COMPOUNDS FOR THE TREATMENT OF PAIN AND SCREENING METHODS THEREFOR ACADIA PHARMACEUTICALS INC. 2008-10-09 US disclosed
US-20070299073-A1 Imidazolyl derivatives IPSEN PHARMA S.A.S. (FR) 2007-12-27 US disclosed
US-7291602-B2 11,12-lactone bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-11-06 US disclosed
US-7291602-B2 11,12-lactone bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-11-06 US disclosed
US-20070185013-A1 Use of chk1 inhibitors to control cell proliferation ICOS CORPORATION (US) 2007-08-09 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2007-02-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HTT 420/4885ATM 686/4885TAS1R3 1787/4885
US-20070185013-A1 Use of chk1 inhibitors to control cell proliferation CHEK1, CHEK2, CDC25C HTT 3720/4885ATM 98/4885TAS1R3 3818/4885
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HTT 365/4885ATM 720/4885TAS1R3 1743/4885
US-20220119419-A1 BYCYCLIC JAK INHIBITORS AND USES THEREOF JAK1, JAK2, JAK3 HTT 4577/4885ATM 412/4885TAS1R3 3517/4885
US-20070299073-A1 Imidazolyl derivatives SSTR5, SSTR3, SSTR2 HTT 3700/4885ATM 4435/4885TAS1R3 269/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HTT 365/4885ATM 720/4885TAS1R3 1743/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 HTT 4445/4885ATM 1342/4885TAS1R3 3547/4885
US-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. GHSR, IGF1R, GIPR HTT 1033/4885ATM 1451/4885TAS1R3 788/4885
US-20080249081-A1 COMPOUNDS FOR THE TREATMENT OF PAIN AND SCREENING METHODS THEREFOR MRGPRX2, MRGPRX4, MRGPRX1 HTT 4557/4885ATM 4139/4885TAS1R3 3842/4885
US-20120277209-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A HTT 3743/4885ATM 3197/4885TAS1R3 804/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.