SCHEMBL2159090

SCHEMBL2159090

CC1CC(C(=O)O)CC1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.37
CYP2C19 P33261 3/20 0.35
GABRR1 P24046 1/20 0.35
CYP2D6 P10635 3/20 0.33
CYP1A2 P05177 2/20 0.33
ALOX15 P16050 2/20 0.33
PPP5C P53041 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
ATM Q13315 1/20 0.33
TSHR P16473 2/20 0.32
PMP22 Q01453 2/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32

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
SCHEMBL2159391 1.00 APLNR (0.37) APLNRCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL2158824 1.00 APLNR (0.37) APLNRCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL20572944 1.00 APLNR (0.37) APLNRCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL19506520 0.88 APLNR (0.41) APLNRCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL850635 0.84 APLNR (0.43) APLNRCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL850636 0.84 APLNR (0.43) APLNRCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL6943949 0.82 APLNR (0.39) APLNRCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL6943955 0.82 APLNR (0.39) APLNRCYP2C19GABRR1CYP2D6CYP1A2
SCHEMBL13631043 0.81 ACE (0.39) APLNRCYP2C19GABRR1PPP5CTSHR
SCHEMBL10265765 0.81 ACE (0.39) APLNRCYP2C19GABRR1PPP5CTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108473518-B Bisphosphonic acid compounds 株式会社富士药品 2021-07-06 CN disclosed
US-10689408-B2 Bisphosphonic acid compound FUJIYAKUHIN CO., LTD. (JP) 2020-06-23 US disclosed
US-20200048183-A1 ANTIMICROBIAL AGENTS UNIV WARWICK (GB) 2020-02-13 US disclosed
US-20190002482-A1 NOVEL BISPHOSPHONIC ACID COMPOUND FUJIYAKUHIN CO., LTD. (JP) 2019-01-03 US disclosed
EP-3409679-A1 NOVEL BISPHOSPHONIC ACID COMPOUND Fuji Yakuhin Co., Ltd. (JP) 2018-12-05 EP disclosed
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
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 (6 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 APLNR 496/4885CYP2C19 2288/4885GABRR1 125/4885
US-20200048183-A1 ANTIMICROBIAL AGENTS C3AR1, HCAR3, C5AR1 APLNR 339/4885CYP2C19 1240/4885GABRR1 385/4885
US-20070208056-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCR2, CCR3 APLNR 496/4885CYP2C19 2288/4885GABRR1 125/4885
US-10689408-B2 Bisphosphonic acid compound SOST, PTH1R, BMP2 APLNR 589/4885CYP2C19 2391/4885GABRR1 1073/4885
US-20110245226-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCR2, CCR3 APLNR 496/4885CYP2C19 2288/4885GABRR1 125/4885
US-20190002482-A1 NOVEL BISPHOSPHONIC ACID COMPOUND SOST, PTH1R, BMP2 APLNR 511/4885CYP2C19 2638/4885GABRR1 958/4885

“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.