SCHEMBL1604150

SCHEMBL1604150

C[C@H](CC(C)(C)C)C(NC(=O)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 20/20 0.65
NR1I2 O75469 1/20 0.64

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
SCHEMBL2159507 0.91 CCR1 (0.64) CCR1NR1I2
SCHEMBL2159258 0.89 CCR1 (0.71) CCR1
SCHEMBL1603622 0.87 CCR1 (0.84) CCR1
SCHEMBL2160056 0.86 CCR1 (0.49) CCR1NR1I2
SCHEMBL1603449 0.86 CCR1 (0.71) CCR1
SCHEMBL12397978 0.82 CCR1 (0.79) CCR1NR1I2
SCHEMBL2159665 0.82 CCR1 (0.44) CCR1NR1I2
SCHEMBL2159453 0.82 CCR1 (0.54) CCR1NR1I2
SCHEMBL2159451 0.82 CCR1 (0.54) CCR1NR1I2
SCHEMBL10297206 0.82 CCR1 (0.80) CCR1NR1I2

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-8633226-B2 Piperidinyl derivative as a modulator of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-21 US disclosed
US-20130023564-A1 PIPERIDINYL DERIVATIVE AS A MODULATOR OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-24 US 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-20110082113-A1 PRODRUGS OF A PIPERIDINYL DERIVATIVE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2011-04-07 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-20110082113-A1 PRODRUGS OF A PIPERIDINYL DERIVATIVE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR7, CCR1, CCR2 CCR1 2/4885NR1I2 425/4885
US-20110245226-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCR2, CCR3 CCR1 1/4885NR1I2 101/4885
US-20130023564-A1 PIPERIDINYL DERIVATIVE AS A MODULATOR OF CHEMOKINE RECEPTOR ACTIVITY CCR2, CCR5, CCL11 CCR1 5/4885NR1I2 275/4885

“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.