SCHEMBL1257296

SCHEMBL1257296

O=C(c1ccc(Cl)cc1)N1CCN(C2CN(c3nc(C(F)(F)F)nc4ccc(Cl)cc34)CC2O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 3/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
STAT3 P40763 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 2/20 0.39
RHOC P08134 1/20 0.38
RHOA P61586 1/20 0.38
CCNE2 O96020 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
MGLL Q99685 2/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
CYP1A2 P05177 1/20 0.37
MDM2 Q00987 1/20 0.37
CNR1 P21554 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
SCHEMBL6373742 1.00 GPR6 (0.41) GPR6SMN1; SMN2MAPTMEN1MAPK1
SCHEMBL1257471 0.96 GPR6 (0.40) GPR6SMN1; SMN2MAPTMEN1MAPK1
SCHEMBL6468623 0.96 GPR6 (0.40) GPR6SMN1; SMN2MAPTMEN1MAPK1
SCHEMBL1255964 0.96 GPR6 (0.40) GPR6SMN1; SMN2MAPTMEN1MAPK1
SCHEMBL1258390 0.94 GPR6 (0.39) GPR6SMN1; SMN2MAPTMEN1MAPK1
SCHEMBL6372204 0.94 GPR6 (0.39) GPR6SMN1; SMN2MAPTMEN1MAPK1
SCHEMBL1258581 0.93 ATM (0.41) GPR6SMN1; SMN2MAPTMEN1MAPK1
SCHEMBL1256087 0.93 GPR6 (0.39) GPR6SMN1; SMN2MAPTMEN1MAPK1
SCHEMBL6468625 0.93 GPR6 (0.39) GPR6SMN1; SMN2MAPTMEN1MAPK1
SCHEMBL6373494 0.93 ATM (0.41) GPR6SMN1; SMN2MAPTMEN1MAPK1

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 GPR6 163/4885SMN1; SMN2 4663/4885MAPT 4863/4885
US-20060172994-A1 Compounds useful as chemokine receptor antagonists ACKR3, CCR5, CXCR2 GPR6 111/4885SMN1; SMN2 4699/4885MAPT 4869/4885
US-20140364420-A1 SUBSTITUTED PIPERAZINYL-PYRROLIDINE COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS ACKR3, CCR5, CCR2 GPR6 163/4885SMN1; SMN2 4663/4885MAPT 4863/4885

“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.