SCHEMBL13624008

SCHEMBL13624008

CN1Cc2c(c(O)c3ncc(Cc4ccc(F)cc4)cc3c2C2(C(=O)NC(C)(C)CO)CC2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.38
CNR1 P21554 2/20 0.31
PTK2 Q05397 1/20 0.31
NTRK1 P04629 1/20 0.30
LIPG Q9Y5X9 1/20 0.30

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
SCHEMBL13624006 0.90 LIPG (0.33) CNR2PTK2NTRK1LIPG
SCHEMBL13624007 0.88 GPR52 (0.35) CNR2NTRK1LIPG
SCHEMBL13624001 0.88 LIPG (0.33) NTRK1LIPG
SCHEMBL13624000 0.87 LIPG (0.33) CNR2NTRK1LIPG
SCHEMBL13624002 0.87 GRM2 (0.33) NTRK1LIPG
SCHEMBL13624003 0.87 PTGER4 (0.33) NTRK1LIPG
SCHEMBL12378423 0.86 CNR2 (0.46) CNR2CNR1LIPG
SCHEMBL4377607 0.85 CNR2 (0.38) CNR2CNR1NTRK1LIPG
SCHEMBL13846194 0.82 LIPG (0.32) LIPG
SCHEMBL13624005 0.81 GABRA5 (0.32) NTRK1

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-20090291921-A1 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-11-26 US disclosed
US-20090291921-A1 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-11-26 US disclosed
WO-2009067541-A2 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-05-28 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-20090291921-A1 INTEGRASE INHIBITORS TYMP, DNTT, PAICS CNR2 4717/4885CNR1 4630/4885PTK2 2747/4885

“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.