SCHEMBL3096791

SCHEMBL3096791

COc1ccc(-n2nc(C3CCNCC3)cc2-c2ccc(C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ PTGS2 P35354 4/20 0.47
▸ PTGS1 P23219 3/20 0.47
▸ CCKAR P32238 7/20 0.46
▸ MAPT P10636 1/20 0.45
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ THPO P40225 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL3100346 0.95 MEN1 (0.52) MEN1KMT2APTGS2PTGS1CYP1A2
SCHEMBL3093919 0.90 KCNJ6 (0.50) MEN1KMT2APTGS2PTGS1CYP1A2
SCHEMBL27914757 0.88 PTGS2 (0.49) PTGS2PTGS1CCKARCYP1A2CYP3A4
SCHEMBL3093801 0.88 MEN1 (0.46) MEN1KMT2APTGS2PTGS1MAPT
SCHEMBL13352411 0.86 CCKAR (0.48) PTGS2PTGS1CCKAR
SCHEMBL14714593 0.85 CCKAR (0.48) PTGS2PTGS1CCKAR
SCHEMBL3093815 0.85 MAPT (0.47) MEN1KMT2AMAPT
SCHEMBL3105412 0.85 PTGS2 (0.46) MEN1KMT2APTGS2PTGS1MAPT
SCHEMBL3104892 0.85 MEN1 (0.45) MEN1KMT2APTGS2PTGS1CYP1A2
SCHEMBL13993264 0.84 PTGS2 (0.46) PTGS2PTGS1CCKARCYP1A2CYP3A4

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-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 — — US disclosed
EP-2009006-A1 UREIDE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES TORAY INDUSTRIES, INC. (JP) 2008-12-31 — — EP 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-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF UROD, UTS2R, SLC14A1 MEN1 1635/4885KMT2A 3421/4885PTGS2 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.

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