SCHEMBL2188157

SCHEMBL2188157

CCCCCN(Cc1cccnc1)C(C)=O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TRPV1 Q8NER1 3/20 0.49
CHRNB2 P17787 2/20 0.49
CHRNA4 P43681 2/20 0.49
RIPK1 Q13546 1/20 0.48
TRPM8 Q7Z2W7 1/20 0.47
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TBXAS1 P24557 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
SCHEMBL2189187 0.88 TDP1 (0.55) TDP1L3MBTL1TRPV1CHRNB2CHRNA4
SCHEMBL2185783 0.88 TDP1 (0.55) TDP1L3MBTL1TRPV1CHRNB2CHRNA4
SCHEMBL2185690 0.88 TDP1 (0.63) TDP1L3MBTL1TRPV1KMT2ATBXAS1
SCHEMBL2186172 0.85 TDP1 (0.52) TDP1L3MBTL1TRPV1CHRNB2CHRNA4
SCHEMBL2187781 0.85 TDP1 (0.52) TDP1L3MBTL1TRPV1CHRNB2CHRNA4
SCHEMBL2187051 0.85 KDM4E (0.61) KDM4EHSD17B10CHRNB2CHRNA4RIPK1
SCHEMBL20057648 0.84 CHRNB2 (0.60) TDP1L3MBTL1KDM4EHSD17B10CHRNB2
SCHEMBL2187701 0.82 PDK1 (0.46) HSD17B10KMT2A
SCHEMBL10602308 0.82 GRIN2D (0.60) TDP1L3MBTL1TRPV1CHRNB2CHRNA4
SCHEMBL2187595 0.82 CNR2 (0.59)

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 8 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 claimed
EP-2342180-A2 ORGANIC COMPOUNDS SUITABLE FOR MODULATING FRAGRANCE COMPOSITIONS Givaudan SA (CH) 2011-07-13 EP claimed
WO-2010037244-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2010-04-08 WO claimed
US-20110200549-A1 Organic Compounds Suitable For Modulating Fragrance Compositions GIVAUDAN SA (CH) 2011-08-18 US disclosed
US-20110200549-A1 Organic Compounds Suitable For Modulating Fragrance Compositions GIVAUDAN SA (CH) 2011-08-18 US disclosed
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 4165/4885KDM4E 1238/4885

“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.