SCHEMBL2187759

SCHEMBL2187759

CCCCCNCCc1cccnc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
SIGMAR1 Q99720 2/20 0.65
CHRM2 P08172 1/20 0.61
CYP2A6 P11509 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
TRPV1 Q8NER1 1/20 0.48
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CHRNA7 P36544 2/20 0.47
HRH1 P35367 1/20 0.46

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
SCHEMBL22762150 0.88 TDP1 (0.61) TDP1L3MBTL1SIGMAR1CHRM2CYP2A6
SCHEMBL16606311 0.86 CYP1A2 (0.63) TDP1L3MBTL1CHRM2CYP2A6CYP1A2
SCHEMBL2188249 0.85 CHRM2 (0.78) TDP1L3MBTL1CHRM2CYP1A2CYP2D6
SCHEMBL6159311 0.84 SIGMAR1 (0.71) TDP1L3MBTL1SIGMAR1CHRM2
SCHEMBL11083068 0.84 CHRM2 (0.81) TDP1L3MBTL1CHRM2CYP1A2CYP2D6
SCHEMBL19509215 0.84 CHRM2 (0.81) TDP1L3MBTL1CHRM2CYP1A2CYP2D6
SCHEMBL10556589 0.84 CHRM2 (0.81) TDP1L3MBTL1CHRM2CYP1A2CYP2D6
SCHEMBL10282657 0.83 TDP1 (0.58) TDP1L3MBTL1CHRM2CYP2A6CYP1A2
SCHEMBL16606319 0.83 CHRM2 (0.68) TDP1L3MBTL1SIGMAR1CHRM2CYP2A6
SCHEMBL135032 0.83 TDP1 (1.00) TDP1L3MBTL1CYP2A6TRPV1CHRNA7

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-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

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 4165/4885SIGMAR1 1400/4885

“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.