SCHEMBL443667

SCHEMBL443667

Cc1ccc(ON2CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.45
ACHE P22303 1/20 0.41
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HRH1 P35367 1/20 0.38
FKBP1A P62942 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
GLA P06280 1/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
ALOX12 P18054 1/20 0.37
NFKB1 P19838 1/20 0.37
CYP1A2 P05177 1/20 0.36

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
Hydrochloric Acid SCHEMBL31587507 0.98 HRH3 (0.44) HRH3ACHENPC1RAB9AHRH1
SCHEMBL188044 0.89 ALDH1A1 (0.41) HRH3MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL3164216 0.83 ALDH1A1 (0.52) HRH3HPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL13907288 0.81 HTR6 (0.42) ACHEMEN1KMT2A
SCHEMBL7723416 0.78 ALDH1A1 (0.35) HRH3MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL4750348 0.78 HRH3 (0.46) HRH3RAB9AMEN1KMT2AHPGD
SCHEMBL5169785 0.78 HRH3 (0.46) HRH3ACHENPC1RAB9AFKBP1A
SCHEMBL22031681 0.78 HRH3 (0.39) HRH3ACHEALDH1A1CYP1A2CYP2C9
SCHEMBL21159778 0.78 HPGD (0.37) HRH3NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL29995523 0.78 MAPT (0.48) NPC1RAB9AMEN1KMT2AHPGD

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
CN-115210225-A Substituted aminoquinolones as immuno-activated DGKALPHA inhibitors 拜耳公司 2022-10-18 CN disclosed
US-9458111-B2 Process for the synthesis of substituted urea compounds BIAL—PORTELA & CA, S.A. (PT) 2016-10-04 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20150197503-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL PORTELA & Cª S A (PT) 2015-07-16 US disclosed
EP-2882712-A2 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - Portela & Cª S.A. (PT) 2015-06-17 EP disclosed
US-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 US disclosed
WO-2014017938-A2 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2014-01-30 WO disclosed
EP-2606035-A1 PROCES FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - Portela & CA., S.A. (PT) 2013-06-26 EP disclosed
US-20130123493-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2013-05-16 US disclosed
US-20130072471-A1 Inhibitors of Ion Channels MARRON BRIAN EDWARD (US) 2013-03-21 US disclosed
EP-1995241-B1 Inhibitors of ion channels ICAGEN INC (US) 2010-03-17 EP disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 US disclosed
EP-1995241-A1 Inhibitors of ion channels ICAgen, Incorporated (US) 2008-11-26 EP disclosed
WO-2008118758-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (GB) 2008-10-02 WO disclosed
CN-1244576-C Compound (I) ASTRAZENECA AB (SE) 2006-03-08 CN disclosed
CN-1660839-A Chemical compounds ASTRAZENECA AB (SE) 2005-08-31 CN disclosed
WO-2005025498-A2 SUBSTITUTED ACETANILIDES AND BENZAMIDES FOR THE TREATMENT OF ASTHMA AND PULMONARY INFLAMMATION CORUS PHARMA (US) 2005-03-24 WO disclosed
CN-1433411-A Compound (I) ASTRAZENECA AB (SE) 2003-07-30 CN disclosed
EP-1189886-A1 ETHANESULFONYL-PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-03-27 EP disclosed
WO-2000075109-A1 ETHANESULFONYL-PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-14 WO 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 (4 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-20130123493-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS UTS2R, ARG1, PRMT1 HRH3 37/4885ACHE 535/4885NPC1 2780/4885
US-20130072471-A1 Inhibitors of Ion Channels TRPV1, TRPV5, TRPA1 HRH3 1068/4885ACHE 479/4885NPC1 897/4885
US-20150197503-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS REN, F12, HAT1 HRH3 231/4885ACHE 1554/4885NPC1 2873/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 HRH3 1068/4885ACHE 479/4885NPC1 897/4885

“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.