SCHEMBL5440602

SCHEMBL5440602

COc1ccc(CN2CCc3c(c(O)c(=O)n(C)c3C(=O)N(C)C)C2=O)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.41
ADORA2A P29274 1/20 0.41
CCR3 P51677 1/20 0.38
EZH2 Q15910 2/20 0.37
PDE5A O76074 2/20 0.35
CYP3A4 P08684 1/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
GPR52 Q9Y2T5 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRD1 P41143 1/20 0.33

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
SCHEMBL5437380 0.90 CENPE (0.38) MAOBCCR3CYP3A4
SCHEMBL5446606 0.89 WDR5 (0.36) CCR3EZH2MAPTMEN1KMT2A
SCHEMBL5457538 0.88 MMP10 (0.35) GPR52MEN1KMT2A
SCHEMBL31060990 0.88 AKR1B1 (0.36) MAOB
SCHEMBL4479511 0.88 AKR1B1 (0.36) MAOB
SCHEMBL5438443 0.87 GAA (0.42) MAPTKMT2A
SCHEMBL4488414 0.87 AKR1B1 (0.35) MAOB
SCHEMBL5444577 0.86 WDR5 (0.40) CCR3EZH2MAPT
SCHEMBL5450208 0.86 EGLN1 (0.37) MAOBMEN1KMT2A
SCHEMBL5452304 0.85 ALDH1A1 (0.34) MEN1KMT2A

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-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

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 MAOB 3722/4885ADORA2A 3572/4885CCR3 567/4885

“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.