SCHEMBL6092928

SCHEMBL6092928

CC(c1ccccc1)N(Cc1ccccc1)[C@@H](CC(=O)OC(C)(C)C)c1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
OPRM1 P35372 6/20 0.41
OPRL1 P41146 4/20 0.41
CNR2 P34972 1/20 0.39
RIPK1 Q13546 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.36
PTGES O14684 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
SCHEMBL6374201 1.00 MEN1 (0.42) MEN1KMT2AOPRM1OPRL1CNR2
SCHEMBL6092925 1.00 MEN1 (0.42) MEN1KMT2AOPRM1OPRL1CNR2
SCHEMBL5862048 1.00 MEN1 (0.42) MEN1KMT2AOPRM1OPRL1CNR2
SCHEMBL15630751 0.89 AKT1 (0.41) MEN1KMT2ARIPK1CTSSPTGES
SCHEMBL17857495 0.89 PDPK1 (0.36) MEN1KMT2ARIPK1TRPM8PTGES
SCHEMBL19305401 0.88 OPRM1 (0.46) MEN1KMT2AOPRM1OPRL1CNR2
SCHEMBL17724445 0.88 OPRM1 (0.46) MEN1KMT2AOPRM1OPRL1CNR2
SCHEMBL23523568 0.87 BCHE (0.38) TRPM8PTGES
SCHEMBL23523571 0.87 BCHE (0.38) TRPM8PTGES
SCHEMBL19518007 0.86 MEN1 (0.48) MEN1KMT2AOPRM1OPRL1CNR2

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-20060167048-A1 N-4-piperidinyl compounds as ccr5 modulators ASTRAZENECA AB (SE) 2006-07-27 US disclosed
US-20050171353-A1 Piperidine or 8-aza-bicyclo[3.2.1]oct-3-yl derivatives useful as modulators of chemokine receptor activity (especially ccr5) ASTRAZENECA AB (SE) 2005-08-04 US disclosed
EP-1539695-A1 N-4-PIPERIDINYL COMPOUNDS AS CCR5 MODULATORS AstraZeneca AB (SE) 2005-06-15 EP disclosed
US-20040266823-A1 Novel piperidine derivatives as modulators of chemokine receptors ASTRAZENECA AB (SE) 2004-12-30 US disclosed
WO-2004018425-A1 N-4-PIPERIDINYL COMPOUNDS AS CCR5 MODULATORS ASTRAZENECA AB (SE) 2004-03-04 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 (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-20050171353-A1 Piperidine or 8-aza-bicyclo[3.2.1]oct-3-yl derivatives useful as modulators of chemokine receptor activity (especially ccr5) CCR5, CXCR1, CCR7 MEN1 4403/4885KMT2A 1493/4885OPRM1 59/4885
US-20060167048-A1 N-4-piperidinyl compounds as ccr5 modulators CCR5, CCL5, CCR2 MEN1 4212/4885KMT2A 2927/4885OPRM1 36/4885
US-20040266823-A1 Novel piperidine derivatives as modulators of chemokine receptors CCR5, CCR2, CX3CR1 MEN1 4852/4885KMT2A 4577/4885OPRM1 26/4885

“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.