SCHEMBL1666465

SCHEMBL1666465

O=CCC1(O)CCC(C(=O)O)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.43
GRM3 Q14832 2/20 0.43
GRM4 Q14833 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 2/20 0.43
ALOX15 P16050 2/20 0.43
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
GRM8 O00222 1/20 0.43
GRM6 O15303 1/20 0.43
GRM5 P41594 1/20 0.43
MTOR P42345 1/20 0.43
GRM1 Q13255 1/20 0.43
PLCB1 Q9NQ66 1/20 0.43
TSHR P16473 1/20 0.43
APLNR P35414 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PTGS2 P35354 1/20 0.31
PLG P00747 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
SCHEMBL11902172 0.84 GRM2 (0.42) GRM2GRM3GRM4CYP2C19CYP1A2
SCHEMBL23933987 0.76 PTGS2 (0.32) PTGS2
SCHEMBL1666393 0.74 GRM2 (0.47) GRM2GRM3GRM4CYP2C19CYP1A2
SCHEMBL16500063 0.72 CYP2C19 (0.40) GRM2GRM3GRM4CYP2C19CYP1A2
SCHEMBL28914586 0.70 GRM2 (0.37) GRM2GRM3GRM4CYP2C19CYP1A2
SCHEMBL1652739 0.70 CYP2C19 (0.40) GRM2GRM3GRM4CYP2C19CYP1A2
SCHEMBL9792864 0.69 GRM4 (0.54) GRM2GRM3GRM4CYP2C19CYP1A2
SCHEMBL17178021 0.68 PTGS2 (0.38) CYP2C19KDM4EPTGS2
SCHEMBL16889118 0.68 LMNA (0.39) GRM2GRM3GRM4CYP2C19CYP1A2
SCHEMBL30366521 0.67

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-9221819-B2 Spirocyclic compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-29 US disclosed
US-8877749-B2 Spirocyclic compounds as modulators of chemokine receptor activity Bristol-Myers Squibbs Company (US) 2014-11-04 US disclosed
EP-2486034-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2012-08-15 EP disclosed
US-20120202802-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2012-08-09 US disclosed
WO-2011044197-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-14 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 (1 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-20120202802-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CXCR1, CCR7 GRM2 1090/4885GRM3 1031/4885GRM4 1093/4885

“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.