SCHEMBL15720835

SCHEMBL15720835

COc1ccc(F)c(N2CCC3(CC2)OCCO3)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.48
ALDH1A1 P00352 8/20 0.46
KMT2A Q03164 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 6/20 0.44
HSD17B10 Q99714 5/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.44
CASP1 P29466 2/20 0.44
CASP7 P55210 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HCRTR1 O43613 1/20 0.44
ATM Q13315 1/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 3/20 0.43

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
SCHEMBL17543650 0.89 POLB (0.48) POLBALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL17542837 0.84 FFAR4 (0.55) SLC6A2SLC6A4SLC6A3LGMNNPC1
SCHEMBL31342122 0.81 NPC1 (0.56) POLBALDH1A1KMT2ASLC6A2SLC6A4
SCHEMBL2766538 0.79 FFAR4 (0.51) POLBALDH1A1KMT2ASLC6A2SLC6A4
SCHEMBL15720727 0.78 TRPV1 (0.38) POLBALDH1A1KMT2ASLC6A4SMN1; SMN2
SCHEMBL17543831 0.78 POLB (0.45) POLBALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL17893643 0.78 POLB (0.39) POLBALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL17893742 0.77 FFAR4 (0.41) POLBALDH1A1KMT2ASLC6A2SLC6A4
SCHEMBL737198 0.76 POLB (0.58) POLBALDH1A1KMT2AKDM4EHSD17B10
SCHEMBL17893792 0.76 ADRB1 (0.53) POLBALDH1A1KMT2ASMN1; SMN2KDM4E

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-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
WO-2014078611-A1 DIHYDROPYRAZOLE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-22 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-20160297797-A1 DIHYDROPYRAZOLE GPR40 MODULATORS GPR55, GPR65, GPR35 POLB 4783/4885ALDH1A1 1408/4885KMT2A 3776/4885

“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.