SCHEMBL12200096

SCHEMBL12200096

CC(C)[C@@H](N)C(=O)N1CCC(c2ccc(F)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 9/20 0.60
DPP4 P27487 6/20 0.56
DPP9 Q86TI2 6/20 0.56
DPP8 Q6V1X1 5/20 0.56
ADAMTS5 Q9UNA0 1/20 0.53
DPP7 Q9UHL4 4/20 0.52
KCNH2 Q12809 3/20 0.51
PARP10 Q53GL7 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46

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
Hydrochloric Acid SCHEMBL2160194 0.99 CCR1 (0.59) CCR1DPP4DPP9DPP8ADAMTS5
Hydrochloric Acid SCHEMBL2160197 0.99 CCR1 (0.59) CCR1DPP4DPP9DPP8ADAMTS5
SCHEMBL2159295 0.86 CCR1 (0.64) CCR1KCNH2
SCHEMBL2159302 0.86 CCR1 (0.64) CCR1KCNH2
Hydrochloric Acid SCHEMBL2158874 0.85 CCR1 (0.62) CCR1KCNH2
Hydrochloric Acid SCHEMBL2159763 0.85 DPP4 (0.52) CCR1DPP4DPP9DPP8DPP7
Hydrochloric Acid SCHEMBL2159758 0.85 DPP4 (0.52) CCR1DPP4DPP9DPP8DPP7
Hydrochloric Acid SCHEMBL2158879 0.85 CCR1 (0.62) CCR1KCNH2
SCHEMBL16915243 0.84 LIPE (0.56) CCR1DPP4DPP9DPP8ADAMTS5
SCHEMBL16915229 0.84 LIPE (0.56) CCR1DPP4DPP9DPP8ADAMTS5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471774-B1 Piperidinyl derivatives as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB CO (US) 2016-08-24 EP disclosed
US-20110245226-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 US disclosed
US-7985861-B2 Piperidinyl derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-26 US disclosed
US-7985861-B2 Piperidinyl derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-26 US disclosed
US-20090298833-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-12-03 US disclosed
US-20090298833-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-12-03 US disclosed
US-7601844-B2 Piperidinyl derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-13 US disclosed
US-7601844-B2 Piperidinyl derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-13 US disclosed
US-20070208056-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US disclosed
US-20070208056-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 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-20090298833-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCR2, CCR3 CCR1 1/4885DPP4 1669/4885DPP9 817/4885
US-20070208056-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCR2, CCR3 CCR1 1/4885DPP4 1669/4885DPP9 817/4885
US-20110245226-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCR2, CCR3 CCR1 1/4885DPP4 1669/4885DPP9 817/4885

“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.