SCHEMBL1062877

SCHEMBL1062877

CCC(=O)c1ccn(-c2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELOVL1 Q9BW60 6/20 0.50
MAPT P10636 3/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP2C9 P11712 1/20 0.49
GAA P10253 1/20 0.47
KDM4E B2RXH2 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
USP30 Q70CQ3 1/20 0.42
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL20250844 0.84 MAPT (0.49) ELOVL1MAPTTSHRHTTHSD17B10
SCHEMBL28291686 0.84 KMT2A (0.50) MAPTL3MBTL1KDM4EHDAC3HDAC1
SCHEMBL22169244 0.81 NPC1 (0.47) ELOVL1MAPTTSHRHTTHSD17B10
SCHEMBL4473648 0.81 MAPT (0.58) ELOVL1MAPTTSHRHTTHSD17B10
SCHEMBL27790040 0.80 CYP2C9 (0.56) ELOVL1MAPTTSHRHTTHSD17B10
SCHEMBL1063920 0.80 CYP2C9 (0.61) ELOVL1MAPTTSHRHTTHSD17B10
SCHEMBL12986040 0.80 MAPT (0.43) ELOVL1MAPTTSHRHTTHSD17B10
SCHEMBL17239569 0.80 MAPT (0.54) ELOVL1MAPTTSHRHTTHSD17B10
SCHEMBL9681520 0.80 NPC1 (0.58) MAPTTSHRHSD17B10CYP2C9GAA
SCHEMBL725497 0.77 CYP2C9 (0.53) ELOVL1MAPTTSHRHTTHSD17B10

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349273-B1 MODULATORS OF CXCR7 CHEMOCENTRYX INC (US) 2015-04-08 EP disclosed
EP-2349273-B1 MODULATORS OF CXCR7 CHEMOCENTRYX INC (US) 2015-04-08 EP disclosed
US-8853202-B2 Modulators of CXCR7 CHEMOCENTRYX, INC. (US) 2014-10-07 US disclosed
US-8853202-B2 Modulators of CXCR7 CHEMOCENTRYX, INC. (US) 2014-10-07 US disclosed
US-8288373-B2 Modulators of CXCR7 CHEMOCENTRYX, INC. (US) 2012-10-16 US disclosed
US-8288373-B2 Modulators of CXCR7 CHEMOCENTRYX, INC. (US) 2012-10-16 US disclosed
US-8288373-B2 Modulators of CXCR7 CHEMOCENTRYX, INC. (US) 2012-10-16 US disclosed
EP-2349273-A1 MODULATORS OF CXCR7 ChemoCentryx, Inc. (US) 2011-08-03 EP disclosed
US-20110014121-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2011-01-20 US disclosed
US-20110014121-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2011-01-20 US disclosed
US-20110014121-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2011-01-20 US disclosed
US-20100311712-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-12-09 US disclosed
US-20100311712-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-12-09 US disclosed
US-20100311712-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-12-09 US disclosed
US-20100150831-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-06-17 US disclosed
US-20100150831-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-06-17 US disclosed
US-20100150831-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-06-17 US disclosed
WO-2010054006-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-05-14 WO disclosed
WO-2010054006-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-05-14 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-20110014121-A1 MODULATORS OF CXCR7 CXCR1, CXCR5, CCR7 ELOVL1 2604/4885MAPT 4678/4885TSHR 2148/4885
US-20100311712-A1 MODULATORS OF CXCR7 CXCR1, CXCR5, CCR7 ELOVL1 2604/4885MAPT 4678/4885TSHR 2148/4885
US-20100150831-A1 MODULATORS OF CXCR7 CXCR1, CXCR5, CCR7 ELOVL1 2604/4885MAPT 4678/4885TSHR 2148/4885

“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.