SCHEMBL6468623

SCHEMBL6468623

O=C(O)c1ccc2nc(C(F)(F)F)nc(N3C[C@H](O)[C@@H](N4CCN(C(=O)c5ccc(Cl)cc5)CC4)C3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 4/20 0.40
MAPT P10636 2/20 0.38
MDM2 Q00987 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CNR1 P21554 2/20 0.38
RHOC P08134 1/20 0.38
RHOA P61586 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CCNE2 O96020 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
STAT3 P40763 1/20 0.38
KMT2A Q03164 1/20 0.38
MGLL Q99685 1/20 0.37
TP53 P04637 1/20 0.36
USP2 O75604 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL1255964 1.00 GPR6 (0.40) GPR6MAPTMDM2HSD17B10CNR1
SCHEMBL1257471 1.00 GPR6 (0.40) GPR6MAPTMDM2HSD17B10CNR1
SCHEMBL6373742 0.96 GPR6 (0.41) GPR6MAPTMDM2HSD17B10CNR1
SCHEMBL1257296 0.96 GPR6 (0.41) GPR6MAPTMDM2HSD17B10CNR1
SCHEMBL6468625 0.94 GPR6 (0.39) GPR6MAPTMDM2HSD17B10CNR1
SCHEMBL1256087 0.94 GPR6 (0.39) GPR6MAPTMDM2HSD17B10CNR1
SCHEMBL1258390 0.93 GPR6 (0.39) GPR6MAPTMDM2HSD17B10CNR1
SCHEMBL6372204 0.93 GPR6 (0.39) GPR6MAPTMDM2HSD17B10CNR1
SCHEMBL6373494 0.93 ATM (0.41) GPR6MAPTHSD17B10SMN1; SMN2MEN1
SCHEMBL1258581 0.93 ATM (0.41) GPR6MAPTHSD17B10SMN1; SMN2MEN1

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 6 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-20130123270-A1 SUBSTITUTED PIPERAZINYL-PYRROLIDINE COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-05-16 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-7880002-B2 Substituted piperazinyl-pyrrolidine compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-01 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 163/4885MAPT 4863/4885MDM2 3531/4885
US-20140364420-A1 SUBSTITUTED PIPERAZINYL-PYRROLIDINE COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS ACKR3, CCR5, CCR2 GPR6 163/4885MAPT 4863/4885MDM2 3531/4885
US-20130123270-A1 SUBSTITUTED PIPERAZINYL-PYRROLIDINE COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS ACKR3, CCR5, CCR2 GPR6 163/4885MAPT 4863/4885MDM2 3531/4885

“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.