SCHEMBL744756

SCHEMBL744756

[c]1ccc(-c2nccs2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.53
PDPK1 O15530 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.44
ADRB2 P07550 2/20 0.41
RAB9A P51151 1/20 0.38
SMPD3 Q9NY59 1/20 0.37
HSP90AA1 P07900 1/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
CHEK2 O96017 1/20 0.35
KDR P35968 1/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
METAP1 P53582 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32

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
SCHEMBL17701227 0.76 PDPK1 (0.52) CYP2A6PDPK1LOXL2ADRB2RAB9A
SCHEMBL6206 0.76 PDPK1 (0.63) CYP2A6PDPK1LOXL2ADRB2RAB9A
SCHEMBL722198 0.73 PDPK1 (0.77) CYP2A6PDPK1LOXL2ADRB2RAB9A
SCHEMBL745572 0.72
SCHEMBL29462092 0.72 CYP2A6 (0.59) CYP2A6PDPK1LOXL2ADRB2SMPD3
SCHEMBL12490013 0.72 CYP2A6 (0.59) CYP2A6PDPK1LOXL2ADRB2SMPD3
SCHEMBL17701230 0.72 PDPK1 (0.52) CYP2A6PDPK1LOXL2ADRB2RAB9A
SCHEMBL15671125 0.71 CYP2A6 (0.58) CYP2A6PDPK1LOXL2ADRB2RAB9A
SCHEMBL29381812 0.69 CYP2A6 (1.00) CYP2A6PDPK1LOXL2RAB9A
SCHEMBL3778177 0.69 CYP2A6 (0.48) CYP2A6CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130116230-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2013-05-09 US claimed
US-8362003-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2013-01-29 US claimed
EP-2470508-A1 CANNABINOID RECEPTOR MODULATORS Arena Pharmaceuticals, Inc. (US) 2012-07-04 EP claimed
EP-2431357-A2 3-Aminopyrrolidine Derivatives as Modulators of Chemokine Receptors Incyte Corporation (US) 2012-03-21 EP claimed
US-20110251168-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION 2011-10-13 US claimed
WO-2011025541-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. (US) 2011-03-03 WO claimed
EP-1565436-A4 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2007-07-18 EP claimed
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors INCYTE HOLDINGS CORPORATION 2006-11-09 US claimed
JP-2006516145-A 2006-06-22 JP claimed
EP-1565436-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-08-24 EP claimed
WO-2004050024-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2004-06-17 WO claimed
US-11771695-B2 Cannabinoid receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2023-10-03 US disclosed
US-11746091-B2 Cannabinoid receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2023-09-05 US disclosed
US-20220241274-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2022-08-04 US disclosed
CN-109970708-B Cannabinoid receptor modulators 艾尼纳制药公司 2022-06-21 CN disclosed
US-20050192302-A1 3-Cycloalkylaminopyrrolidine derivatives as modulators of chemokine receptors PFIZER INC. 2005-09-01 US disclosed
EP-1565436-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-08-24 EP disclosed
WO-2005060665-A2 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-07-07 WO disclosed
WO-2004058174-A2 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION BAYER PHARMACEUTICALS CORPORATION (US) 2004-07-15 WO disclosed
WO-2004050024-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2004-06-17 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 (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-20130116230-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CXCR3, CCR5 CYP2A6 2801/4885PDPK1 1961/4885LOXL2 1336/4885
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors CCR2, CXCR3, CCR5 CYP2A6 2885/4885PDPK1 1705/4885LOXL2 1413/4885
US-20050192302-A1 3-Cycloalkylaminopyrrolidine derivatives as modulators of chemokine receptors CCR2, CCR5, CXCR3 CYP2A6 2818/4885PDPK1 1822/4885LOXL2 957/4885
US-11746091-B2 Cannabinoid receptor modulators CNR1, CNR2, TRPV1 CYP2A6 2057/4885PDPK1 970/4885LOXL2 2336/4885
US-20220241274-A1 CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 CYP2A6 469/4885PDPK1 1176/4885LOXL2 2432/4885
US-20110251168-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CXCR3, CCR5 CYP2A6 2801/4885PDPK1 1961/4885LOXL2 1336/4885
US-11771695-B2 Cannabinoid receptor modulators CNR2, CNR1, OPRL1 CYP2A6 469/4885PDPK1 1176/4885LOXL2 2432/4885

“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.