SCHEMBL3984989

SCHEMBL3984989

CN(C)C(=O)Cn1cc(-c2nn(Cc3ccc(F)c(Cl)c3)c(=O)c3c(O)c4n(c23)CCN(C)C4=O)ccc1=O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 15/20 0.38
GRIN1 Q05586 1/20 0.35
AVPR1B P47901 1/20 0.35
CNR2 P34972 1/20 0.32
FSCN1 Q16658 1/20 0.32
KCNK3 O14649 1/20 0.31

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
SCHEMBL3988282 0.88 KCNK3 (0.33) AVPR1BCNR2FSCN1KCNK3
SCHEMBL3982488 0.81 PTGER4 (0.33) AVPR1BCNR2FSCN1
SCHEMBL3983880 0.80 PTGER4 (0.33) AVPR1BFSCN1
SCHEMBL3985457 0.79 PTGER4 (0.32) AVPR1BFSCN1
SCHEMBL3985632 0.79 DCTPP1 (0.35) FSCN1
SCHEMBL3987232 0.78 PTGER4 (0.35) AVPR1BCNR2FSCN1KCNK3
SCHEMBL3982499 0.78 ALDH1A1 (0.43) AVPR1B
SCHEMBL3989255 0.78 MAOB (0.35) FSCN1
SCHEMBL3991213 0.78 TRAP1 (0.34) AVPR1BFSCN1
SCHEMBL3985051 0.78 PKM (0.35) FSCN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756114-B1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-19 EP claimed
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US claimed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US claimed
EP-1756114-B1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-19 EP disclosed
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US disclosed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 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-20080287394-A1 Hiv Integrase Inhibitors DHPS, DPYD, TYMP GRIN2B 4065/4885GRIN1 3102/4885AVPR1B 1814/4885

“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.