SCHEMBL1258581

SCHEMBL1258581

Cc1ccc2nc(C(F)(F)F)nc(N3CC(O)C(N4CCN(C(=O)c5ccc(Cl)cc5)CC4)C3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 2/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPK1 P28482 1/20 0.39
GPR6 P46095 2/20 0.39
USP2 O75604 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK7 Q13164 1/20 0.37
MGLL Q99685 1/20 0.37
GBA1 P04062 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
SCHEMBL6373494 1.00 ATM (0.41) ATMLMNATSHRHTTNPSR1
SCHEMBL6372868 0.93 LMNA (0.40) LMNATSHRHTTNPSR1HSD17B10
SCHEMBL6373742 0.93 GPR6 (0.41) LMNAHSD17B10MAPK1GPR6USP2
SCHEMBL1257296 0.93 GPR6 (0.41) LMNAHSD17B10MAPK1GPR6USP2
SCHEMBL6468623 0.93 GPR6 (0.40) HSD17B10MAPK1GPR6USP2CASP1
SCHEMBL1255964 0.93 GPR6 (0.40) HSD17B10MAPK1GPR6USP2CASP1
SCHEMBL1257471 0.93 GPR6 (0.40) HSD17B10MAPK1GPR6USP2CASP1
SCHEMBL1258390 0.91 GPR6 (0.39) HSD17B10MAPK1GPR6SMN1; SMN2MEN1
SCHEMBL6372204 0.91 GPR6 (0.39) HSD17B10MAPK1GPR6SMN1; SMN2MEN1
SCHEMBL2693705 0.90 MCHR1 (0.41) GPR6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140364420-A1 SUBSTITUTED PIPERAZINYL-PYRROLIDINE COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-12-11 US disclosed
US-8168788-B2 Substituted piperazinyl-pyrrolidine compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-05-01 US disclosed
US-20110237601-A1 Substituted piperazinyl-pyrrolidine compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-29 US disclosed
US-7880002-B2 Substituted piperazinyl-pyrrolidine compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-01 US disclosed
US-20060172994-A1 Compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. 2006-08-03 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 (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-20110237601-A1 Substituted piperazinyl-pyrrolidine compounds useful as chemokine receptor antagonists ACKR3, CCR5, CCR2 ATM 4152/4885LMNA 4725/4885TSHR 563/4885
US-20060172994-A1 Compounds useful as chemokine receptor antagonists ACKR3, CCR5, CXCR2 ATM 4104/4885LMNA 4717/4885TSHR 691/4885
US-20140364420-A1 SUBSTITUTED PIPERAZINYL-PYRROLIDINE COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS ACKR3, CCR5, CCR2 ATM 4152/4885LMNA 4725/4885TSHR 563/4885

“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.