SCHEMBL3188690

SCHEMBL3188690

COc1cc(C(F)C#N)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.41
ALDH1A1 P00352 11/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
HTT P42858 2/20 0.39
ATM Q13315 1/20 0.38
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
CYP1A2 P05177 1/20 0.34
AMY1A P0DUB6 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7097603 0.86 RAB9A (0.41) ACHEALDH1A1TSHRRAB9AHTT
SCHEMBL3718088 0.77 CES2 (0.39) ALDH1A1SMN1; SMN2LMNA
SCHEMBL8221532 0.76 HDAC4 (0.47) ACHEALDH1A1SMN1; SMN2AMY1ALMNA
SCHEMBL25705090 0.74 TSHR (0.43) ACHETSHRL3MBTL1CYP1A2KMT2A
SCHEMBL622625 0.73 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2CYP1A2MEN1KMT2A
SCHEMBL24509816 0.73 GRM2 (0.38) ACHETSHRL3MBTL1CYP1A2AMY1A
SCHEMBL19262060 0.73 AMY1A (0.40) ACHEAMY1ALMNA
SCHEMBL21336451 0.73 GRM2 (0.43) ACHETSHRL3MBTL1CYP1A2AMY1A
SCHEMBL1237466 0.73 ADRB2 (0.42) ACHEALDH1A1HTT
SCHEMBL16957097 0.73 GRM2 (0.38) ACHEALDH1A1TSHRL3MBTL1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-01-28 US disclosed
EP-2114890-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-11-11 EP disclosed
WO-2008097428-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2008-08-14 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-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GCGR, GPR65 ACHE 3513/4885ALDH1A1 2253/4885TSHR 926/4885

“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.