SCHEMBL2189187

SCHEMBL2189187

CCCCCN(Cc1cccnc1)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
TRPV1 Q8NER1 4/20 0.48
CHRNB2 P17787 2/20 0.48
CHRNA4 P43681 2/20 0.48
RIPK1 Q13546 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.46
F2 P00734 1/20 0.46
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
FAAH O00519 1/20 0.44
GRM2 Q14416 1/20 0.44

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
SCHEMBL2188157 0.88 TDP1 (0.56) TDP1L3MBTL1TRPV1CHRNB2CHRNA4
SCHEMBL10602308 0.86 GRIN2D (0.60) TDP1L3MBTL1TRPV1CHRNB2CHRNA4
SCHEMBL2185783 0.86 TDP1 (0.55) TDP1L3MBTL1TRPV1CHRNB2CHRNA4
SCHEMBL2187781 0.84 TDP1 (0.52) TDP1L3MBTL1TRPV1CHRNB2CHRNA4
SCHEMBL2186172 0.84 TDP1 (0.52) TDP1L3MBTL1TRPV1CHRNB2CHRNA4
SCHEMBL3418990 0.81 CNR2 (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2185690 0.78 TDP1 (0.63) TDP1L3MBTL1TRPV1KMT2ATBXAS1
SCHEMBL3928463 0.78 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13512579 0.77 CHRNB2 (0.70) TDP1L3MBTL1CHRNB2CHRNA4RIPK1
SCHEMBL10556363 0.76 TDP1 (0.51) TDP1L3MBTL1CHRNB2CHRNA4RIPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110200549-A1 Organic Compounds Suitable For Modulating Fragrance Compositions GIVAUDAN SA (CH) 2011-08-18 US disclosed
EP-2342180-A2 ORGANIC COMPOUNDS SUITABLE FOR MODULATING FRAGRANCE COMPOSITIONS Givaudan SA (CH) 2011-07-13 EP disclosed
WO-2010037244-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2010-04-08 WO disclosed
US-3994905-A 3-Pyridylmethyl aryl urea rodenticides ROHM AND HAAS COMPANY (US) 1976-11-30 US disclosed
US-3931203-A 3-Pyridylmethyl aryl urea rodenticides ROHM AND HAAS COMPANY (US) 1976-01-06 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-20110200549-A1 Organic Compounds Suitable For Modulating Fragrance Compositions CYP2A6, CYP2B6, CYP2A13 TDP1 3040/4885L3MBTL1 4165/4885TRPV1 125/4885

“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.