SCHEMBL12376748

SCHEMBL12376748

Nc1ncc(-c2ccc(C3CCCCC3)cc2)nc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR2A P27037 1/20 0.55
TGFBR2 P37173 1/20 0.55
ATR Q13535 13/20 0.51
ACVR1 Q04771 1/20 0.49
DGAT1 O75907 1/20 0.49
DHODH Q02127 1/20 0.49
KDM4E B2RXH2 1/20 0.48
GLA P06280 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HIF1A Q16665 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PRKDC P78527 4/20 0.45
PRKAB2 O43741 1/20 0.45
PRKAG1 P54619 1/20 0.45
PRKAA2 P54646 1/20 0.45
PRKAA1 Q13131 1/20 0.45
PRKAG3 Q9UGI9 1/20 0.45

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
SCHEMBL12377499 0.90 ACVR2A (0.55) ACVR2ATGFBR2ATRACVR1DGAT1
SCHEMBL2255419 0.78 DGAT1 (0.56) ACVR2ATGFBR2DGAT1
SCHEMBL2255423 0.78 DGAT1 (0.56) ACVR2ATGFBR2DGAT1
SCHEMBL11908281 0.78 ATR (0.67) ATRPRKDCATM
SCHEMBL318797 0.77 ATR (0.68) ATRPRKDCATM
SCHEMBL23703073 0.76 ATR (0.67) ACVR2ATGFBR2ATRPRKDCATM
SCHEMBL11906967 0.76 ATR (0.67) ATRPRKDCATM
SCHEMBL3983358 0.76 ATR (0.67) ATRPRKDCATM
SCHEMBL30048631 0.76 ATR (0.67) ACVR2ATGFBR2ATRPRKDCATM
SCHEMBL2258528 0.76 DGAT1 (0.78) DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994179-B2 Carbamoyl compounds as DGAT1 inhibitors 190 ASTRAZENECA AB (SE) 2011-08-09 US disclosed
US-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2009-12-03 US 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-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 DGAT1, DGAT2, SOAT1 ACVR2A 3271/4885TGFBR2 3744/4885ATR 4839/4885

“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.