SCHEMBL2159093

SCHEMBL2159093

CC[C@H](C)[C@@H](N)C(=O)N1CC[C@](OC(=O)C(F)(F)F)(c2ccc(Cl)cc2)C(C)(C)C1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 17/20 0.47
NR1I2 O75469 1/20 0.41
DPP8 Q6V1X1 1/20 0.40
DPP7 Q9UHL4 2/20 0.39

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
Trifluoroacetic Acid SCHEMBL2159087 0.81 CCR1 (0.57) CCR1NR1I2
SCHEMBL2160481 0.81 CCR1 (0.60) CCR1NR1I2
SCHEMBL10291591 0.80 CCR1 (0.64) CCR1NR1I2
SCHEMBL2158875 0.74 CCR1 (0.49) CCR1NR1I2
SCHEMBL3944129 0.72 TET3 (0.53) CCR1DPP8DPP7
SCHEMBL13676796 0.69 CCR1 (0.53) CCR1
SCHEMBL1603554 0.69 CCR1 (0.69) CCR1
SCHEMBL2160015 0.69 CCR1 (0.69) CCR1
SCHEMBL2160021 0.69 CCR1 (0.69) CCR1
SCHEMBL2160018 0.69 CCR1 (0.69) CCR1

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-2471773-B1 Piperidinyl derivatives as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB CO (US) 2016-03-23 EP disclosed
EP-2471773-A1 Piperidinyl derivatives as modulators of chemokine receptor activity Bristol-Myers Squibb Company (US) 2012-07-04 EP disclosed
EP-2471774-A1 Piperidinyl derivatives as modulators of chemokine receptor activity Bristol-Myers Squibb Company (US) 2012-07-04 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-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
EP-2049486-A2 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2009-04-22 EP disclosed
US-20070208056-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US disclosed
WO-2007092681-A2 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 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-20090298833-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCR2, CCR3 CCR1 1/4885NR1I2 101/4885DPP8 859/4885
US-20070208056-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCR2, CCR3 CCR1 1/4885NR1I2 101/4885DPP8 859/4885
US-20110245226-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCR2, CCR3 CCR1 1/4885NR1I2 101/4885DPP8 859/4885

“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.