SCHEMBL4255352

SCHEMBL4255352

NCCN1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.74
SIGMAR1 Q99720 2/20 0.67
HTR1A P08908 3/20 0.63
HTR7 P34969 3/20 0.63
DRD2 P14416 2/20 0.60
HTR2A P28223 2/20 0.60
HTR6 P50406 2/20 0.60

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
SCHEMBL8957648 0.91 KCNH2 (0.80) KCNH2SIGMAR1HTR1AHTR7DRD2
Hydrochloric Acid SCHEMBL2213147 0.89 KCNH2 (0.78) KCNH2SIGMAR1HTR1AHTR7DRD2
SCHEMBL3187894 0.89 KCNH2 (0.83) KCNH2SIGMAR1HTR1AHTR7DRD2
SCHEMBL30767216 0.87 KCNH2 (0.90) KCNH2SIGMAR1HTR1AHTR7DRD2
SCHEMBL1254408 0.85 KCNH2 (0.77) KCNH2SIGMAR1HTR1AHTR7
Hydrochloric Acid SCHEMBL7658247 0.85 KCNH2 (0.88) KCNH2SIGMAR1HTR1AHTR7DRD2
SCHEMBL4525555 0.85 KCNH2 (1.00) KCNH2SIGMAR1HTR1AHTR7DRD2
SCHEMBL8467046 0.84 KCNH2 (0.74) KCNH2SIGMAR1HTR1AHTR7DRD2
SCHEMBL30764776 0.84 KCNH2 (0.74) KCNH2SIGMAR1HTR1AHTR7DRD2
SCHEMBL1650839 0.84 KCNH2 (0.74) KCNH2SIGMAR1HTR1AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993588-B2 Carboxamide heterocyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-03-31 US disclosed
US-8993588-B2 Carboxamide heterocyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-03-31 US disclosed
US-8895558-B2 Arylpiperazine-containing pyrrole 3-carboxamide derivatives for treating depressive disorders GREEN CROSS CORPORATION (KR) 2014-11-25 US disclosed
US-8895558-B2 Arylpiperazine-containing pyrrole 3-carboxamide derivatives for treating depressive disorders GREEN CROSS CORPORATION (KR) 2014-11-25 US disclosed
US-20110178091-A1 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS GREEN CROSS CORPORATION (KR) 2011-07-21 US disclosed
US-20110178091-A1 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS GREEN CROSS CORPORATION (KR) 2011-07-21 US disclosed
US-20100179166-A1 CARBOXAMIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-07-15 US disclosed
US-20100179166-A1 CARBOXAMIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-07-15 US disclosed
WO-2010038948-A2 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS GREEN CROSS CORPORATION (KR) 2010-04-08 WO disclosed
US-7638546-B1 Imidazolyl derivatives IPSEN PHARMA S.A.S. (FR) 2009-12-29 US disclosed
US-5482940-A OBESITY, ALCOHOLISM AMERICAN HOME PRODUCTS CORPORATION (US) 1996-01-09 US disclosed
US-5380725-A Antipsychotic agents and anxiolytic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1995-01-10 US disclosed
US-5278160-A Treating aggressive behavior AMERICAN HOME PRODUCTS CORPORATION (US) 1994-01-11 US disclosed
US-5254552-A Cognition activators, psychological disorders AMERICAN HOME PRODUCTS CORPORATION (US) 1993-10-19 US disclosed
US-5106849-A Treating anxiety, depression, psychoses AMERICAN HOME PRODUCTS CORPORATION (US) 1992-04-21 US disclosed
US-5010078-A Anxiolytic, antidepressant agents AMERICAN HOME PRODUCTS CORPORATION (US) 1991-04-23 US disclosed
EP-0343961-A2 Aryl- and heteroaryl piperazinyl carboxamides having central nervous system activity AMERICAN HOME PRODUCTS CORPORATION (US) 1989-11-29 EP disclosed
US-4882432-A ANTIDEPRESSANT, ANTIPSYCHOTIC AMERICAN HOME PRODUCTS CORPORATION (US) 1989-11-21 US disclosed
EP-0015615-B1 PHENYL PIPERAZINE DERIVATIVES, THEIR PREPARATION AND ANTIAGRESSIVE MEDICINES CONTAINING THEM DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1983-01-12 EP disclosed
EP-0015615-A1 Phenyl piperazine derivatives, their preparation and antiagressive medicines containing them DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1980-09-17 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 (2 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-20110178091-A1 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS NPY5R, TPH2, MC5R KCNH2 538/4885SIGMAR1 1205/4885HTR1A 49/4885
US-20100179166-A1 CARBOXAMIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CCKBR KCNH2 346/4885SIGMAR1 597/4885HTR1A 66/4885

“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.