SCHEMBL586165

SCHEMBL586165

Clc1ccc2c(c1)C[N]C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.45
HTR2C P28335 3/20 0.45
HTR2B P41595 3/20 0.45
PNMT P11086 4/20 0.42
HTR5A P47898 4/20 0.41
HTR3A P46098 3/20 0.41
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
DRD4 P21917 2/20 0.41
HTR1D P28221 2/20 0.41
HTR7 P34969 2/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
METAP1 P53582 1/20 0.39
AHR P35869 2/20 0.36
CMA1 P23946 1/20 0.36
TP53 P04637 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
SCHEMBL585704 0.82 HTR2A (0.48) HTR2AHTR2CHTR2BPNMTHTR5A
SCHEMBL2301407 0.82 HTR2A (0.48) HTR2AHTR2CHTR2BPNMTHTR5A
SCHEMBL577820 0.75 DRD2 (0.41) DRD4
SCHEMBL17278199 0.73 HTR2A (0.39) HTR2AHTR2CHTR2BPNMTHTR5A
SCHEMBL6904514 0.70 HTR2A (0.50) HTR2AHTR2CHTR2BPNMTMETAP1
SCHEMBL15962624 0.70
SCHEMBL585896 0.70 HTR5A (0.41) HTR5AADRA2AADRA2BADRA2CNOTUM
SCHEMBL577455 0.70 PNMT (0.42) PNMTADRA2AADRA2BADRA2CMETAP1
SCHEMBL5539314 0.70 PNMT (0.42) PNMTADRA2AADRA2BADRA2C
Ammonia Solution, Strong SCHEMBL1325642 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130072471-A1 Inhibitors of Ion Channels MARRON BRIAN EDWARD (US) 2013-03-21 US claimed
EP-1995241-B1 Inhibitors of ion channels ICAGEN INC (US) 2010-03-17 EP claimed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 US claimed
EP-1995241-A1 Inhibitors of ion channels ICAgen, Incorporated (US) 2008-11-26 EP claimed
WO-2008118758-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (GB) 2008-10-02 WO claimed
EP-0220917-B1 1,4-DIHYDROPYRIDINE PHARMACEUTICAL DERIVATIVES AND THEIR SALTS, AND THE PREPARATION THEREOF SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1991-01-30 EP claimed
EP-0280239-B1 1,4-DIHYDROPYRIDINE DERIVATIVES, PRODUCTION AND USE THEREOF SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1990-07-04 EP claimed
EP-0280239-A1 1,4-Dihydropyridine derivatives, production and use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1988-08-31 EP claimed
EP-0220917-A1 1,4-Dihydropyridine pharmaceutical derivatives and their salts, and the preparation thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1987-05-06 EP claimed
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 US disclosed
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-20130072471-A1 Inhibitors of Ion Channels MARRON BRIAN EDWARD (US) 2013-03-21 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
EP-0220917-B1 1,4-DIHYDROPYRIDINE PHARMACEUTICAL DERIVATIVES AND THEIR SALTS, AND THE PREPARATION THEREOF SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1991-01-30 EP disclosed
EP-0280239-B1 1,4-DIHYDROPYRIDINE DERIVATIVES, PRODUCTION AND USE THEREOF SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1990-07-04 EP disclosed
US-4824855-A CALCIUM ANTAGONIST, VASODILATORS SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1989-04-25 US disclosed
EP-0280239-A1 1,4-Dihydropyridine derivatives, production and use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1988-08-31 EP disclosed
EP-0220917-A1 1,4-Dihydropyridine pharmaceutical derivatives and their salts, and the preparation thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1987-05-06 EP 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 (3 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-20130072471-A1 Inhibitors of Ion Channels TRPV1, TRPV5, TRPA1 HTR2A 1246/4885HTR2C 773/4885HTR2B 630/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 HTR2A 1246/4885HTR2C 773/4885HTR2B 630/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 HTR2A 3619/4885HTR2C 3113/4885HTR2B 2464/4885

“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.