SCHEMBL2158967

SCHEMBL2158967

CCOC(=O)C(OC#N)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.38
HTT P42858 2/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALOX15 P16050 1/20 0.33
PIN1 Q13526 1/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
CYP2C9 P11712 1/20 0.33
SOAT1 P35610 1/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TRPA1 O75762 1/20 0.31
CTSK P43235 1/20 0.31

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
SCHEMBL23130107 0.85 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10TSHRHTT
SCHEMBL21891800 0.79
SCHEMBL21892103 0.79 SMN1; SMN2 (0.41) ALDH1A1TSHRSMN1; SMN2
SCHEMBL13554956 0.79 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10TSHRGAA
SCHEMBL9628362 0.79 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10TSHRGAA
SCHEMBL21891814 0.74 MMP1 (0.42)
SCHEMBL7922533 0.74 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10KMT2AMEN1
SCHEMBL23130165 0.73 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10TSHRHTT
SCHEMBL14504438 0.72 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10KMT2AMEN1
SCHEMBL13555010 0.72 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10KMT2AMEN1

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
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
CN-101600691-A Acyclic derivatives as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB CO (US) 2009-12-09 CN 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 ALDH1A1 263/4885LMNA 4849/4885HSD17B10 3899/4885
US-20070208056-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCR2, CCR3 ALDH1A1 263/4885LMNA 4849/4885HSD17B10 3899/4885
US-20110245226-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCR2, CCR3 ALDH1A1 263/4885LMNA 4849/4885HSD17B10 3899/4885

“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.