SCHEMBL6043787

SCHEMBL6043787

O=C(O)c1cc2nnn(C3CCC3)c2cc1F

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.60
ALDH1A1 P00352 3/20 0.44
GRM5 P41594 1/20 0.42
RXFP1 Q9HBX9 2/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
GPR119 Q8TDV5 3/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL6044294 0.94 HCAR3 (0.58) HCAR3ALDH1A1TSHRLMNAGLA
SCHEMBL6044259 0.84 HCAR3 (0.60) HCAR3ALDH1A1GRM5RXFP1TSHR
SCHEMBL6043830 0.78 HCAR3 (0.50) HCAR3ALDH1A1GRM5RXFP1TSHR
SCHEMBL6043674 0.78 HCAR3 (0.58) HCAR3ALDH1A1RXFP1TSHRLMNA
SCHEMBL6044013 0.75 HCAR3 (1.00) HCAR3RXFP1TP53MAPTGAA
SCHEMBL6044743 0.75 HCAR3 (0.52) HCAR3ALDH1A1RXFP1TSHRLMNA
SCHEMBL6044728 0.73 HCAR3 (0.53) HCAR3ALDH1A1GRM5RXFP1TSHR
SCHEMBL6044613 0.73 HCAR3 (0.60) HCAR3ALDH1A1GRM5RXFP1TP53
SCHEMBL6044131 0.72 HCAR3 (1.00) HCAR3RXFP1TP53MAPTGAA
SCHEMBL6044966 0.72 HCAR3 (0.48) HCAR3ALDH1A1TSHRLMNAGLA

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-20060122240-A1 Benzotriazoles and methods of prophylaxis or treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2006-06-08 US disclosed
WO-2004041274-A1 BENZOTRIAZOLES AND METHODS OF PROPHYLAXIS OR TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2004-05-21 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-20060122240-A1 Benzotriazoles and methods of prophylaxis or treatment of metabolic-related disorders thereof GCGR, GPR119, HMGCR HCAR3 85/4885ALDH1A1 607/4885GRM5 254/4885

“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.