SCHEMBL2928855

SCHEMBL2928855

Fc1ccc(N2CCNCC2)cc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 4/20 0.55
HTR3B O95264 4/20 0.55
HTR3A P46098 4/20 0.55
HTR3D Q70Z44 4/20 0.55
HTR3C Q8WXA8 4/20 0.55
SIGMAR1 Q99720 4/20 0.55
HTR2C P28335 2/20 0.55
ALDH1A1 P00352 1/20 0.55
HTR1D P28221 1/20 0.55
THRB P10828 2/20 0.54
MAPT P10636 1/20 0.54
AR P10275 4/20 0.54
ADRB1 P08588 5/20 0.53
NOTUM Q6P988 1/20 0.51
HTR1A P08908 2/20 0.47
HTR7 P34969 2/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47

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 SCHEMBL2276790 0.98 THRB (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1470571 0.87 HTR3E (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11177028 0.86 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11627069 0.82 ADRB1 (0.65) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9362583 0.82 HTR3E (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1432376 0.82 HTR3E (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13580093 0.82 HTR3E (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL255333 0.82 ADRB1 (0.65) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL1637829 0.81 ADRB1 (0.63) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL11185302 0.81 ADRB1 (0.63) HTR3EHTR3BHTR3AHTR3DHTR3C

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-4203986-A TRANQUILIZERS, SEDATIVES, ANTITUSSIVE AGNETS METABIO-JOULLIE (FR) 1980-05-20 US claimed
US-10080753-B2 Heterocyclic carboxamides as modulators of kinase activity MERCK PATENT GMBH (DE) 2018-09-25 US disclosed
US-20160339028-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-11-24 US disclosed
EP-2794571-B1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-11-02 EP disclosed
US-20160058763-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-03-03 US disclosed
US-9139568-B2 Heterocyclic carboxamides as modulators of kinase activity MERCK PATENT GMBH (DE) 2015-09-22 US disclosed
CN-104540830-A Pyrazolopyrimidone and pyrazolopyridone inhibitors of tankyrase HOFFMANN LA ROCHE 2015-04-22 CN disclosed
EP-2794571-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY Merck Patent GmbH (DE) 2014-10-29 EP disclosed
US-20140309245-A1 Novel Heterocyclic Carboxamides as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2014-10-16 US disclosed
US-20130345215-A1 PYRAZOLOPYRIMIDONE AND PYRAZOLOPYRIDONE INHIBITORS OF TANKYRASE F. HOFFMANN-LA ROCHE AG (CH) 2013-12-26 US disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US disclosed
US-6924374-B2 Central nervous system disorders; psychological disorders A. CARLSSON RESEARCH AB (SE) 2005-08-02 US disclosed
EP-1419773-A2 4-Phenylpiperidine derivatives as modulators of dopamine neurotransmission A. Carlsson Research AB (SE) 2004-05-19 EP disclosed
US-20030004169-A1 Modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2003-01-02 US disclosed
EP-1240143-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. Carlsson Research AB (SE) 2002-09-18 EP disclosed
WO-2001046146-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2001-06-28 WO disclosed
US-4203986-A TRANQUILIZERS, SEDATIVES, ANTITUSSIVE AGNETS METABIO-JOULLIE (FR) 1980-05-20 US disclosed
US-4203986-A TRANQUILIZERS, SEDATIVES, ANTITUSSIVE AGNETS METABIO-JOULLIE (FR) 1980-05-20 US disclosed
US-4188331-A Prostaglandin derivatives ABBOTT LABORATORIES (US) 1980-02-12 US disclosed
US-4044132-A 1-4-FLUORO-3-TRIFLUOROMETHYLTHIO-PHENYL-PIPERAZINE SYNTHELABO (FR) 1977-08-23 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 (7 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-20160058763-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MAP3K19, MAP3K15, MAP3K12 HTR3E 3643/4885HTR3B 3064/4885HTR3A 3800/4885
US-20070173537-A1 Indazole compound and pharmaceutical use thereof CYP3A5, CYP3A43, TP53 HTR3E 1008/4885HTR3B 1291/4885HTR3A 1083/4885
US-20140309245-A1 Novel Heterocyclic Carboxamides as Modulators of Kinase Activity MAP3K19, MAP3K15, MAP3K12 HTR3E 3658/4885HTR3B 3093/4885HTR3A 3851/4885
US-10080753-B2 Heterocyclic carboxamides as modulators of kinase activity MAP3K15, MAP3K12, MAP3K11 HTR3E 3530/4885HTR3B 3110/4885HTR3A 3656/4885
US-20160339028-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MAP3K19, MAP3K15, MAP3K12 HTR3E 3658/4885HTR3B 3093/4885HTR3A 3851/4885
US-20130345215-A1 PYRAZOLOPYRIMIDONE AND PYRAZOLOPYRIDONE INHIBITORS OF TANKYRASE TNKS1BP1, TPI1, TNKS HTR3E 4325/4885HTR3B 4272/4885HTR3A 4284/4885
US-20030004169-A1 Modulators of dopamine neurotransmission OPRD1, OPRK1, OPRM1 HTR3E 86/4885HTR3B 24/4885HTR3A 43/4885

“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.