SCHEMBL2903630

SCHEMBL2903630

COCC1CNCCC1O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 5/20 0.36
PYGL P06737 1/20 0.32
GBA2 Q9HCG7 1/20 0.32
GAA P10253 1/20 0.32
GLB1 P16278 1/20 0.32
KCNH2 Q12809 1/20 0.31
SLC6A1 P30531 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRB2 P47870 2/20 0.31
SLC6A12 P48065 2/20 0.31
SLC6A11 P48066 2/20 0.31
SLC6A13 Q9NSD5 2/20 0.31
GABRA1 P14867 1/20 0.31
GABRR1 P24046 1/20 0.31
GABRA4 P48169 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
SCHEMBL27326201 1.00 GBA1 (0.36) GBA1PYGLGBA2GAAGLB1
SCHEMBL2904835 1.00 GBA1 (0.36) GBA1PYGLGBA2GAAGLB1
Hydrochloric Acid SCHEMBL2905226 0.98 GBA1 (0.35) GBA1PYGLGBA2GAAGLB1
SCHEMBL26729416 0.84 GBA1 (0.36) GBA1PYGLGBA2GAAGLB1
SCHEMBL2904780 0.84 GBA1 (0.36) GBA1PYGLGBA2GAAGLB1
Tert-Butyl Formate SCHEMBL28026809 0.83 TDP1 (0.36)
Hydrochloric Acid SCHEMBL2923844 0.82 GBA1 (0.35) GBA1PYGLGBA2GAAGLB1
Hydrochloric Acid SCHEMBL2923841 0.82 GBA1 (0.35) GBA1PYGLGBA2GAAGLB1
Hydrochloric Acid SCHEMBL2923847 0.82 GBA1 (0.35) GBA1PYGLGBA2GAAGLB1
SCHEMBL3182445 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9604964-B2 Dihydropyrazole GPR40 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-28 US disclosed
EP-2925749-B1 DIHYDROPYRAZOLE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-10-26 EP disclosed
US-20160297797-A1 DIHYDROPYRAZOLE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2016-10-13 US disclosed
EP-2925749-A1 DIHYDROPYRAZOLE GPR40 MODULATORS Bristol-Myers Squibb Company (US) 2015-10-07 EP disclosed
CN-104918935-A Dihydropyrazole gpr40 modulators BRISTOL MYERS SQUIBB CO 2015-09-16 CN disclosed
WO-2014078611-A1 DIHYDROPYRAZOLE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-22 WO disclosed
CN-103224464-A Cyclohexene derivative or its pharmaceutically acceptable salt and application thereof ZHANG JIANCUN 2013-07-31 CN disclosed
EP-2010506-B1 DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS HOFFMANN LA ROCHE (CH) 2010-08-04 EP 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-20160297797-A1 DIHYDROPYRAZOLE GPR40 MODULATORS GPR55, GPR65, GPR35 GBA1 3580/4885PYGL 4475/4885GBA2 4188/4885

“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.