SCHEMBL4030930

SCHEMBL4030930

CN(C)C(=O)CCc1ccc(N)c(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.42
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
FFAR1 O14842 4/20 0.37
F10 P00742 1/20 0.36
KMT2A Q03164 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.35
S1PR1 P21453 1/20 0.34
POLB P06746 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL19180611 0.85 KDM1A (0.40) CHEK1CYP1A2CYP3A4TSHRMAPK1
SCHEMBL6184598 0.82 FFAR1 (0.49) FFAR1S1PR1FFAR4
SCHEMBL10661439 0.82 CHEK1 (0.46) CHEK1TSHRFFAR1F10KMT2A
SCHEMBL4022687 0.80 RAB9A (0.46) CYP1A2CYP3A4TSHRMAPK1ADRB2
SCHEMBL11685559 0.75 KDM4E (0.42) CYP1A2CYP3A4TSHRMAPK1ADRB2
SCHEMBL14675722 0.75 SKP2 (0.44) CYP1A2CYP3A4TSHRMAPK1ADRB2
SCHEMBL31230431 0.75 KDM4E (0.42) CYP1A2CYP3A4TSHRMAPK1ADRB2
SCHEMBL10666912 0.73 KMT2A (0.47) CHEK1CYP3A4TSHRADRB2FFAR1
SCHEMBL8591855 0.73 DRD2 (0.44) CYP3A4TSHR
SCHEMBL9242991 0.73 GFER (0.48) FFAR1KMT2AMEN1

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
EP-1537075-B1 DIARYLUREA DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH AS (DK) 2009-07-01 EP disclosed
US-20060160856-A1 Diarylurea derivatives and their use as chloride channel blockers NEUROSEARCH A/S (DK) 2006-07-20 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-20060160856-A1 Diarylurea derivatives and their use as chloride channel blockers KIT, ORAI1, CACNA1C CHEK1 4745/4885CYP1A2 3744/4885CYP3A4 3755/4885

“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.