SCHEMBL4480856

SCHEMBL4480856

Cn1c(C(=O)NC2CC2)c2c(c(O)c1=O)C(=O)N(Cc1ccc(F)cc1)CC2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.44
CNR2 P34972 13/20 0.44
BRD4 O60885 1/20 0.43
FAAH O00519 5/20 0.41
PRKAA2 P54646 1/20 0.40
ABHD12 Q8N2K0 2/20 0.40
MCHR1 Q99705 2/20 0.39
SLC6A12 P48065 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
ALOX5 P09917 1/20 0.39
EPHX2 P34913 1/20 0.39
CYP2D6 P10635 1/20 0.39
CHRM1 P11229 1/20 0.39
HTR2A P28223 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
SCHEMBL4484527 0.96 CNR2 (0.46) CNR1CNR2FAAHABHD12ALOX5
SCHEMBL4486044 0.89 CNR1 (0.40) CNR1CNR2BRD4FAAHMCHR1
SCHEMBL4487792 0.87 THRB (0.46)
SCHEMBL4486193 0.86 TP53 (0.45)
SCHEMBL13672778 0.85 AKR1B1 (0.43)
SCHEMBL4487954 0.84 ALOX5 (0.45) ALOX5EPHX2
SCHEMBL4481908 0.84 AKR1B1 (0.38) ALOX5EPHX2
SCHEMBL4489237 0.84 AKR1B1 (0.37)
SCHEMBL13672777 0.82 AKR1B1 (0.41) MCHR1
SCHEMBL4473972 0.82 AKR1B1 (0.41)

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
US-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 US claimed
EP-1725556-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-11-29 EP claimed
WO-2005087768-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-09-22 WO claimed
WO-2005087767-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-09-22 WO claimed
US-7598264-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 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-20070179196-A1 Hiv integrase inhibitors REV1, TYMP, POLR2H CNR1 4689/4885CNR2 4841/4885BRD4 2731/4885

“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.