SCHEMBL4107235

SCHEMBL4107235

NCCN(CCN1CCCC1)C(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.54
▸ EPHX2 P34913 5/20 0.53
▸ HRH3 Q9Y5N1 3/20 0.49
▸ POLB P06746 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MCHR1 Q99705 2/20 0.46
▸ TP53 P04637 1/20 0.45

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
SCHEMBL4120268 0.85 ALDH1A1 (0.60) HRH3POLBTSHRMCHR1TP53
SCHEMBL4119648 0.84 ALDH1A1 (0.58) POLBTSHRTP53
SCHEMBL4107614 0.84 CNR1 (0.71) CNR1EPHX2HRH3POLBMCHR1
SCHEMBL4111628 0.84 EPHX2 (0.53) EPHX2HRH3TSHRMCHR1
SCHEMBL4123704 0.78 DRD2 (0.53) CNR1EPHX2HRH3TP53
SCHEMBL4107145 0.78 CNR1 (0.60) CNR1EPHX2TP53
SCHEMBL4113123 0.78 CNR1 (0.60) CNR1EPHX2TP53
SCHEMBL4115004 0.77 CNR1 (0.59) CNR1EPHX2POLBTSHRTP53
SCHEMBL4112231 0.77 CNR1 (0.59) CNR1EPHX2HRH3POLBTP53
SCHEMBL2478909 0.76 HDAC1 (0.52) EPHX2POLBTSHRMCHR1

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-20090118330-A1 Diurea derivatives ACTIVE BIOTECH AB (SE) 2009-05-07 — — US disclosed
EP-1711175-A1 DIUREA DERIVATIVES Active Biotech AB (SE) 2006-10-18 — — EP disclosed
WO-2005074919-A1 DIUREA DERIVATIVES ACTIVE BIOTECH AB (SE) 2005-08-18 — — WO 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-20090118330-A1 Diurea derivatives IL2, CASP2, MAVS CNR1 3201/4885EPHX2 1614/4885HRH3 1086/4885

“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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