SCHEMBL655089

SCHEMBL655089

CC1(c2ccccc2Cl)CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 4/20 0.42
GRIN2A Q12879 4/20 0.42
SIGMAR1 Q99720 2/20 0.41
OPRM1 P35372 3/20 0.40
ADRB1 P08588 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
SLC6A4 P31645 3/20 0.38
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
OPRK1 P41145 1/20 0.38
LMNA P02545 1/20 0.38
CACNA1C Q13936 1/20 0.38
HDAC4 P56524 1/20 0.38
HTR2C P28335 3/20 0.37
HTR2B P41595 2/20 0.37
HTR2A P28223 2/20 0.37
DRD2 P14416 1/20 0.37

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
SCHEMBL5897472 0.86 TAAR1 (0.44) GRIN1GRIN2AOPRM1TAAR1SLC6A4
SCHEMBL15621613 0.82 GRIN1 (0.45) GRIN1GRIN2ASIGMAR1OPRM1TAAR1
SCHEMBL15621614 0.82 GRIN1 (0.49) GRIN1GRIN2ASIGMAR1OPRM1TAAR1
SCHEMBL14685888 0.80 GRIN1 (0.47) GRIN1GRIN2AOPRM1TAAR1SLC6A4
SCHEMBL23333488 0.78 OPRM1 (0.57) SIGMAR1OPRM1ADRB1SLC6A4HDAC4
SCHEMBL10820262 0.77 SIGMAR1 (0.41) SIGMAR1OPRM1SLC6A4HDAC4HTR2C
SCHEMBL652087 0.77 SIGMAR1 (0.57) GRIN1GRIN2ASIGMAR1OPRM1ADRB1
SCHEMBL2882928 0.77 ADRB1 (0.40) GRIN1GRIN2ASIGMAR1OPRM1ADRB1
SCHEMBL23647453 0.77 ADRB1 (0.40) GRIN1GRIN2ASIGMAR1OPRM1ADRB1
SCHEMBL30017530 0.77 ADRB1 (0.40) GRIN1GRIN2ASIGMAR1OPRM1ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025010314-A1 UREA-CONTAINING AGONISTS OF OREXIN RECEPTOR TYPE 2 VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-01-09 WO disclosed
US-9663537-B2 Chemokine receptor antagonists and methods of use MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2016-02-04 US disclosed
EP-2477983-B1 (4-PHENYL-PIPERIDIN-1-YL)-[5-1H-PYRAZOL-4YL)-THIOPHEN-3-YL]-METHANONE COMPOUNDS AND THEIR USE UNIV EDINBURGH (GB) 2015-04-15 EP disclosed
EP-2477983-B1 (4-PHENYL-PIPERIDIN-1-YL)-[5-1H-PYRAZOL-4YL)-THIOPHEN-3-YL]-METHANONE COMPOUNDS AND THEIR USE UNIV EDINBURGH (GB) 2015-04-15 EP disclosed
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-12-18 US disclosed
US-8653096-B2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-02-18 US disclosed
US-8642621-B2 (4-phenyl-piperidin-1-yl)-[5-(1H-pyrazol-4-yl)-thiophen-3-yl]-methanone compounds and their use THE UNIVERSITY OF EDINBURGH (GB) 2014-02-04 US disclosed
US-8642621-B2 (4-phenyl-piperidin-1-yl)-[5-(1H-pyrazol-4-yl)-thiophen-3-yl]-methanone compounds and their use THE UNIVERSITY OF EDINBURGH (GB) 2014-02-04 US disclosed
US-8642621-B2 (4-phenyl-piperidin-1-yl)-[5-(1H-pyrazol-4-yl)-thiophen-3-yl]-methanone compounds and their use THE UNIVERSITY OF EDINBURGH (GB) 2014-02-04 US disclosed
US-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-11-12 US disclosed
US-7541365-B2 Chemokine receptor antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-06-02 US disclosed
US-7271176-B2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-09-18 US disclosed
US-20070060592-A1 heterocylic amines such as 2-(5-{3-[4-(4-Chloro-2-methyl-phenyl)-piperazin-1-yl]-propylidene}-5,11-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl)-propan-2-ol, used for treating diseases associated with aberrant leukocyte recruitment and/or activation MILLENNIUM PHARMACEUTICALS, INC. 2007-03-15 US disclosed
CN-1911930-A Chemokine receptor anagonists, methods and use therefor MILLENNIUM PHARM INC (US) 2007-02-14 CN disclosed
EP-1688418-A2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-08-09 EP disclosed
US-20050070549-A1 Chemokine receptor antagonists and methods of use thereof KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-03-31 US disclosed
CN-1585772-A Chemokine receptor antagonists and methods and uses thereof MILLENNIUM PHARM INC (US) 2005-02-23 CN disclosed
EP-1448566-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-08-25 EP disclosed
WO-2003045942-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-06-05 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 (5 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-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR ACKR3, CCL11, CCR7 GRIN1 1219/4885GRIN2A 1926/4885SIGMAR1 749/4885
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 GRIN1 1343/4885GRIN2A 1204/4885SIGMAR1 483/4885
US-20050070549-A1 Chemokine receptor antagonists and methods of use thereof ACKR3, CXCR2, CCL11 GRIN1 1110/4885GRIN2A 1512/4885SIGMAR1 403/4885
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 GRIN1 1343/4885GRIN2A 1204/4885SIGMAR1 483/4885
US-20070060592-A1 heterocylic amines such as 2-(5-{3-[4-(4-Chloro-2-methyl-phenyl)-piperazin-1-yl]-propylidene}-5,11-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl)-propan-2-ol, used for treating diseases associated with aberrant leukocyte recruitment and/or activation THPO, NFATC1, HPGDS GRIN1 900/4885GRIN2A 624/4885SIGMAR1 1045/4885

“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.