SCHEMBL3560188

SCHEMBL3560188

Cc1ccc2cccc(N3CCNCC3)c2n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.63
HTR2C P28335 1/20 0.63
SLC6A4 P31645 1/20 0.63
HTR6 P50406 5/20 0.53
ADRB1 P08588 3/20 0.53
HTR5A P47898 2/20 0.53
NCF1 P14598 2/20 0.53
HTR7 P34969 2/20 0.53
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
CYP1A2 P05177 1/20 0.53
HTR1A P08908 1/20 0.53
CYP2D6 P10635 1/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
HTR1D P28221 1/20 0.53
HTR1B P28222 1/20 0.53
MTOR P42345 1/20 0.53
HTR3A P46098 1/20 0.53
HTR3D Q70Z44 1/20 0.53

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 SCHEMBL4008999 0.98 HTR2A (0.61) HTR2AHTR2CSLC6A4HTR6ADRB1
SCHEMBL25257753 0.84 POLB (0.48) HTR2AHTR2CSLC6A4NCF1HTR1A
SCHEMBL13769597 0.83 HTR3A (0.54) HTR2AHTR2CSLC6A4HTR6HTR3E
SCHEMBL25296198 0.81 TSHR (0.50) NCF1HTR1ATSHRHSD17B10KDM4E
SCHEMBL4968929 0.81 HTR2A (0.63) HTR2AHTR2CSLC6A4HTR6ADRB1
SCHEMBL5379037 0.81 HTR2A (0.58) HTR2AHTR2CSLC6A4HTR6ADRB1
SCHEMBL5223620 0.81 HTR2A (0.58) HTR2AHTR2CSLC6A4HTR6ADRB1
SCHEMBL5373371 0.81 HTR2A (0.58) HTR2AHTR2CSLC6A4HTR6ADRB1
SCHEMBL4014210 0.81 HTR2A (0.58) HTR2AHTR2CSLC6A4HTR6ADRB1
SCHEMBL24336747 0.80 PIM1 (0.58) HTR2AHTR2CSLC6A4HTR3EHTR3B

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-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-7671056-B2 Piperazine-piperidine antagonists and agonists of the 5-HT1A receptor WYETH LLC (US) 2010-03-02 US disclosed
US-7671056-B2 Piperazine-piperidine antagonists and agonists of the 5-HT1A receptor WYETH LLC (US) 2010-03-02 US disclosed
US-7671056-B2 Piperazine-piperidine antagonists and agonists of the 5-HT1A receptor WYETH LLC (US) 2010-03-02 US disclosed
WO-2009080675-A1 QUINOLINE DERIVATIVES WITH AFFINITY FOR THE 5-HT2B RECEPTOR GLAXO GROUP LIMITED (GB) 2009-07-02 WO disclosed
WO-2009080675-A1 QUINOLINE DERIVATIVES WITH AFFINITY FOR THE 5-HT2B RECEPTOR GLAXO GROUP LIMITED (GB) 2009-07-02 WO disclosed
EP-1147083-B1 ARYLPIPERAZINYL-CYCLOHEXYL INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION WYETH CORP (US) 2004-06-16 EP disclosed
US-20040014768-A1 Chromenone derivatives and their use for treating diseases in conjunction with 5-hta1receptors and/or dopamine d2 receptors MERCK PATENT GMBH (DE) 2004-01-22 US disclosed
EP-1311503-A1 CHROMENONE DERIVATIVES AND THEIR USE FOR TREATING DISEASES IN CONJUNCTION WITH 5-HTA1 RECEPTORS AND/OR DOPAMINE D2 RECEPTORS MERCK PATENT GmbH (DE) 2003-05-21 EP disclosed
US-6465482-B2 ANTIDEPRESSANTS; ANXIOLYTIC AGENTS; SEROTONIN-AFFECTED NERVOUS SYSTEM DISORDERS; ACTING AT THE 5-HT1A AUTORECEPTORS CONCOMMITANTLY WITH 5-HT TRANSPORTERS; ANTISEROTONIN AGENTS; SEROTONIN REUPTAKE INHIBITORS; HT3 RECEPTOR ANTAGONISTS WYETH 2002-10-15 US disclosed
US-20020045628-A1 Arylpiperazinyl-cyclohexyl indole derivatives for the treatment of depression AMERICAN HOME PRODUCTS CORPORATION (US) 2002-04-18 US disclosed
WO-2002016354-A1 CHROMENONE DERIVATIVES AND THEIR USE FOR TREATING DISEASES IN CONJUNCTION WITH 5-HTA1 RECEPTORS AND/OR DOPAMINE D2 RECEPTORS MERCK PATENT GMBH (DE) 2002-02-28 WO disclosed
CN-1336916-A Arylpiperazinyl-cyclohexyl indole derivatives for the treatment of depression AMERICAN HOME PROD (US) 2002-02-20 CN disclosed
US-6313126-B1 FOR THRERAPY OF DISORDERS ASSOCIATED WITH DYSFUNCTION IN SEROTONERGIC NEUROTRANSMISSION, INCLUDING DEPRESSION AND ANXIETY AMERICAN HOME PRODUCTS CORP 2001-11-06 US disclosed
EP-1147083-A1 ARYLPIPERAZINYL-CYCLOHEXYL INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-24 EP disclosed
WO-2000040554-A1 ARYLPIPERAZINYL-CYCLOHEXYL INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-13 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 (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-20110178091-A1 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS NPY5R, TPH2, MC5R HTR2A 18/4885HTR2C 10/4885SLC6A4 111/4885
US-20020045628-A1 Arylpiperazinyl-cyclohexyl indole derivatives for the treatment of depression HTR2C, TPH1, TPH2 HTR2A 8/4885HTR2C 1/4885SLC6A4 43/4885
US-20040014768-A1 Chromenone derivatives and their use for treating diseases in conjunction with 5-hta1receptors and/or dopamine d2 receptors HTR1A, HTR1D, HTR1E HTR2A 12/4885HTR2C 8/4885SLC6A4 153/4885

“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.