SCHEMBL3878053

SCHEMBL3878053

O=C1CNC[C@H](Cc2ccc(F)cc2)N1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
KCNA5 P22460 4/20 0.39
PLG P00747 1/20 0.38
CXCR4 P61073 1/20 0.37
ALDH1A1 P00352 2/20 0.35
TACR2 P21452 1/20 0.35
POLB P06746 1/20 0.35
MDM2 Q00987 2/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
CYP2C19 P33261 1/20 0.34
IKBKB O14920 1/20 0.33

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
SCHEMBL18577318 0.84 CMA1 (0.39) CXCR4CYP3A4CYP2C9CYP2C19
SCHEMBL18577316 0.84 CMA1 (0.39) CXCR4CYP3A4CYP2C9CYP2C19
SCHEMBL682465 0.83 HDAC8 (0.45) CXCR4TACR2POLB
SCHEMBL682821 0.83 HDAC8 (0.45) CXCR4TACR2POLB
SCHEMBL2088808 0.83 HDAC8 (0.45) CXCR4TACR2POLB
SCHEMBL6974107 0.74 KCNA5 (0.47) GAAKCNA5PLGALDH1A1POLB
SCHEMBL21180342 0.73 CXCR4 (0.37) CXCR4
SCHEMBL5504868 0.71 HRH3 (0.49) GAAPLGALDH1A1POLB
SCHEMBL26881718 0.71 HRH3 (0.49) GAAPLGALDH1A1POLB
SCHEMBL25365743 0.70 ALDH1A1 (0.36) GAAPLGALDH1A1TACR2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514430-B2 Piperizinones as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-04-07 US disclosed
US-7514430-B2 Piperizinones as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-04-07 US disclosed
US-7514430-B2 Piperizinones as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-04-07 US disclosed
US-6974869-B2 Piperizinones as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-12-13 US disclosed
US-20050261311-A1 Piperizinones as modulators of chemokine receptor activity DELUCCA GEORGE V 2005-11-24 US disclosed
US-20030144277-A1 Piperizinones as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-07-31 US disclosed
WO-2003024401-A2 PIPERIZINONES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2003-03-27 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 (2 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-20030144277-A1 Piperizinones as modulators of chemokine receptor activity CCR3, CCR1, CCR5 GAA 4365/4885KCNA5 2297/4885PLG 3517/4885
US-20050261311-A1 Piperizinones as modulators of chemokine receptor activity CCR3, CCR1, CCR5 GAA 4297/4885KCNA5 2297/4885PLG 3248/4885

“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.