SCHEMBL8926699

SCHEMBL8926699

CC[C@@H](c1ccccc1)N(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.48
HRH1 P35367 4/20 0.48
LMNA P02545 2/20 0.48
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
AOC3 Q16853 3/20 0.46
TRPM8 Q7Z2W7 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
OPRM1 P35372 2/20 0.41
CCR5 P51681 1/20 0.41
OPRD1 P41143 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL119104 1.00 HTR2A (0.48) HTR2AHRH1LMNACHRNB2CHRNB4
SCHEMBL171013 1.00 HTR2A (0.48) HTR2AHRH1LMNACHRNB2CHRNB4
Hydrochloric Acid SCHEMBL235622 0.98 TDP1 (0.50) HTR2AHRH1LMNACHRNB2CHRNB4
Hydrochloric Acid SCHEMBL18378384 0.98 TDP1 (0.50) HTR2AHRH1LMNACHRNB2CHRNB4
Bromide SCHEMBL4071099 0.98 HTR2A (0.46) HTR2AHRH1LMNACHRNB2CHRNB4
Iodide SCHEMBL10962372 0.98 HTR2A (0.46) HTR2AHRH1LMNACHRNB2CHRNB4
Hydrochloric Acid SCHEMBL14762879 0.98 TDP1 (0.50) HTR2AHRH1LMNACHRNB2CHRNB4
Water SCHEMBL27613449 0.98 HTR2A (0.46) HTR2AHRH1LMNACHRNB2CHRNB4
Hydrochloric Acid SCHEMBL8067968 0.96 TDP1 (0.48) HTR2AHRH1LMNACHRNB2CHRNB4
Hydrochloric Acid SCHEMBL28230488 0.96 TDP1 (0.48) HTR2AHRH1LMNACHRNB2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170275289-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-09-28 US disclosed
US-9000020-B2 Linked dibenzimidazole antivirals ENANTA PHARMACEUTICALS, INC. (US) 2015-04-07 US disclosed
US-8877961-B2 Bridged monobactam intermediates BASILEA PHARMACEUTICA AG (CH) 2014-11-04 US disclosed
US-8637561-B2 Linked diimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-01-28 US disclosed
US-20130295049-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC (US) 2013-11-07 US disclosed
US-20130274503-A1 PROCESS FOR THE MANUFACTURE OF BRIDGED MONOBACTAM INTERMEDIATES BASILEA PHARMACEUTICA AG (CH) 2013-10-17 US disclosed
US-8507522-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-8450477-B2 Process for the manufacture of bridged monobactam intermediates Basilea Pharmaceutica A.G. (CH) 2013-05-28 US disclosed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-8314135-B2 Linked dibenzimidazole antivirals ENANTA PHARMACEUTICALS, INC. (US) 2012-11-20 US disclosed
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-10-21 US disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 US disclosed
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-16 US disclosed
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-09-09 US disclosed
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-09 US disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
US-20090137561-A1 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-05-28 US disclosed
CN-1328277-C Substituted pyrimidinone and pyridinone compounds and their use AMGEN INC (US) 2007-07-25 CN disclosed
CN-1246857-A Substituted pyrimidinone and pyridinone compounds and their use AMGEN INC (US) 2000-03-08 CN 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 (11 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-20130274503-A1 PROCESS FOR THE MANUFACTURE OF BRIDGED MONOBACTAM INTERMEDIATES COASY, ACMSD, BPGM HTR2A 4664/4885HRH1 1682/4885LMNA 1145/4885
US-20090137561-A1 Substituted biphenyl GPR40 modulators GPR119, GPR65, GPR55 HTR2A 321/4885HRH1 1002/4885LMNA 4162/4885
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, MAVS HTR2A 4779/4885HRH1 3384/4885LMNA 2380/4885
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 HTR2A 4663/4885HRH1 3693/4885LMNA 2800/4885
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 HTR2A 4601/4885HRH1 2955/4885LMNA 3064/4885
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 HTR2A 4796/4885HRH1 3012/4885LMNA 2724/4885
US-20170275289-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF HDAC10, HDAC6, HDAC1 HTR2A 4599/4885HRH1 1000/4885LMNA 2339/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 HTR2A 4751/4885HRH1 3572/4885LMNA 2096/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 HTR2A 4796/4885HRH1 3012/4885LMNA 2724/4885
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 HTR2A 4783/4885HRH1 2866/4885LMNA 3035/4885
US-20130295049-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 HTR2A 4783/4885HRH1 2866/4885LMNA 3035/4885

“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.