SCHEMBL6467632

SCHEMBL6467632

O=C(c1ccc(Cl)cc1)N1CCN([C@@H]2CN(c3nc(Nc4ccc(Cl)cc4)cc(C(F)(F)F)n3)C[C@H]2O)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RHOC P08134 4/20 0.42
▸ RHOA P61586 4/20 0.42
▸ HSD17B10 Q99714 1/20 0.41
▸ GRM5 P41594 7/20 0.41
▸ PDE4D Q08499 1/20 0.40
▸ GBA1 P04062 1/20 0.38
▸ DHFR P00374 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ABL1 P00519 1/20 0.37
▸ BCR P11274 1/20 0.37
▸ SLC6A7 Q99884 1/20 0.37
▸ NPY2R P49146 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
SCHEMBL2403114 1.00 RHOC (0.42) RHOCRHOAHSD17B10GRM5PDE4D
SCHEMBL6468540 0.90 HSD17B10 (0.48) RHOCRHOAHSD17B10GBA1MAPT
SCHEMBL1257628 0.90 HSD17B10 (0.48) RHOCRHOAHSD17B10GBA1MAPT
SCHEMBL6371862 0.87 GBA1 (0.50) HSD17B10GRM5GBA1MAPT
SCHEMBL2403331 0.86 GBA1 (0.51) HSD17B10GBA1MAPTSLC6A7
SCHEMBL1257267 0.86 GBA1 (0.51) HSD17B10GBA1MAPTSLC6A7
SCHEMBL1256185 0.86 HSD17B10 (0.44) RHOCRHOAHSD17B10GBA1MAPT
SCHEMBL2400509 0.86 GBA1 (0.51) HSD17B10GBA1MAPTSLC6A7
SCHEMBL1258594 0.84 HSD17B10 (0.42) RHOCRHOAHSD17B10GBA1MAPT
SCHEMBL6468259 0.84 HSD17B10 (0.42) RHOCRHOAHSD17B10GBA1MAPT

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 RHOC 1535/4885RHOA 1948/4885HSD17B10 3762/4885
US-20140364420-A1 SUBSTITUTED PIPERAZINYL-PYRROLIDINE COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS ACKR3, CCR5, CCR2 RHOC 1535/4885RHOA 1948/4885HSD17B10 3762/4885
US-20130123270-A1 SUBSTITUTED PIPERAZINYL-PYRROLIDINE COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS ACKR3, CCR5, CCR2 RHOC 1535/4885RHOA 1948/4885HSD17B10 3762/4885

“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.

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