SCHEMBL8957648

SCHEMBL8957648

NCCCN1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.80
SIGMAR1 Q99720 2/20 0.68
CYP2D6 P10635 1/20 0.67
HTR1A P08908 3/20 0.64
HTR7 P34969 3/20 0.64
DRD2 P14416 2/20 0.64
HTR2A P28223 2/20 0.64
HTR6 P50406 2/20 0.64

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 SCHEMBL2213147 0.98 KCNH2 (0.78) KCNH2SIGMAR1CYP2D6HTR1AHTR7
SCHEMBL3187894 0.95 KCNH2 (0.83) KCNH2SIGMAR1HTR1AHTR7DRD2
SCHEMBL4255352 0.91 KCNH2 (0.74) KCNH2SIGMAR1HTR1AHTR7DRD2
SCHEMBL30767216 0.91 KCNH2 (0.90) KCNH2SIGMAR1HTR1AHTR7DRD2
Hydrochloric Acid SCHEMBL7658247 0.89 KCNH2 (0.88) KCNH2SIGMAR1HTR1AHTR7DRD2
SCHEMBL4525555 0.89 KCNH2 (1.00) KCNH2SIGMAR1HTR1AHTR7DRD2
SCHEMBL29739753 0.86 KCNH2 (0.82) KCNH2SIGMAR1HTR1AHTR7DRD2
SCHEMBL267526 0.86 KCNH2 (0.82) KCNH2SIGMAR1HTR1AHTR7DRD2
SCHEMBL2089938 0.85 KCNH2 (0.80) KCNH2SIGMAR1HTR1AHTR7DRD2
SCHEMBL8121567 0.85 KCNH2 (0.85) KCNH2SIGMAR1HTR1AHTR7DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2010038948-A2 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS GREEN CROSS CORPORATION (KR) 2010-04-08 WO disclosed
US-20100022509-A1 Inhibitors of MshC and Homologs Thereof, and Methods of Identifying Same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-01-28 US disclosed
US-20100022509-A1 Inhibitors of MshC and Homologs Thereof, and Methods of Identifying Same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-01-28 US disclosed
WO-2008036139-A2 INHIBITORS OF MSHC AND HOMOLOGS THEREOF, AND METHODS OF IDENTIFYING SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-03-27 WO disclosed
WO-2007117180-A1 AZAHETEROCYCLES, COMBINATORY LIBRARY, FOCUSED LIBRARY, PHARMACEUTICAL COMPOSITION AND METHODS FOR THE PRODUCTION THEREOF 'CHEMICAL DIVERSITY RESEARCH INSTITUTE' LTD. (RU) 2007-10-18 WO disclosed
EP-0343961-B1 Aryl- and heteroaryl piperazinyl carboxamides having central nervous system activity AMERICAN HOME PROD (US) 1996-01-10 EP 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-5164397-A Hypotensive SYNTHELABO (FR) 1992-11-17 US disclosed
US-5106849-A Treating anxiety, depression, psychoses AMERICAN HOME PRODUCTS CORPORATION (US) 1992-04-21 US disclosed
EP-0435749-A1 Derivatives of 2-aminopyrimidine-4-carboxamide, their preparation and therapeutic use SYNTHELABO (FR) 1991-07-03 EP disclosed
US-5010078-A Anxiolytic, antidepressant agents AMERICAN HOME PRODUCTS CORPORATION (US) 1991-04-23 US disclosed
US-4882432-A ANTIDEPRESSANT, ANTIPSYCHOTIC AMERICAN HOME PRODUCTS CORPORATION (US) 1989-11-21 US disclosed
US-4585773-A DIURETIC, HYPOTENSIVE BRISTOL-MYERS COMPANY (US) 1986-04-29 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 (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 1205/4885CYP2D6 478/4885
US-20100022509-A1 Inhibitors of MshC and Homologs Thereof, and Methods of Identifying Same ICMT, TST, OGA KCNH2 4528/4885SIGMAR1 4874/4885CYP2D6 4058/4885

“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.