SCHEMBL13624007

SCHEMBL13624007

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 9/20 0.35
LIPG Q9Y5X9 1/20 0.32
METAP2 P50579 1/20 0.31
NTRK1 P04629 1/20 0.30
CNR2 P34972 1/20 0.30
APOL1 O14791 1/20 0.30
GRIN2B Q13224 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 0.91 LIPG (0.33) LIPGMETAP2NTRK1CNR2
SCHEMBL13624001 0.88 LIPG (0.33) LIPGNTRK1
SCHEMBL13624008 0.88 CNR2 (0.38) LIPGNTRK1CNR2
SCHEMBL13624000 0.88 LIPG (0.33) LIPGMETAP2NTRK1CNR2
SCHEMBL13624002 0.88 GRM2 (0.33) LIPGNTRK1
SCHEMBL13624003 0.87 PTGER4 (0.33) LIPGNTRK1
SCHEMBL3992850 0.85 GPR52 (0.34) GPR52LIPGNTRK1GRIN2B
SCHEMBL12378421 0.85 GPR52 (0.39) GPR52LIPG
SCHEMBL13846194 0.84 LIPG (0.32) LIPG
SCHEMBL13624005 0.82 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 2 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

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 GPR52 4016/4885LIPG 2233/4885METAP2 2604/4885

“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.