SCHEMBL2185690

SCHEMBL2185690

CCCCCN(CCc1cccnc1)C(C)=O

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
CHRNA7 P36544 1/20 0.51
TRPV1 Q8NER1 7/20 0.51
TBXAS1 P24557 7/20 0.50
CYP2A6 P11509 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 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
SCHEMBL2188157 0.88 TDP1 (0.56) TDP1L3MBTL1TRPV1TBXAS1KMT2A
SCHEMBL2188785 0.86 TDP1 (0.58) TDP1L3MBTL1CHRNA7TRPV1TBXAS1
SCHEMBL15223821 0.85 CHRNA7 (0.56) TDP1L3MBTL1CHRNA7TBXAS1KMT2A
SCHEMBL19632213 0.83 CHRNA7 (0.67) TDP1L3MBTL1CHRNA7TBXAS1CYP2A6
SCHEMBL2189225 0.83 LMNA (0.44) TRPV1
Acetic Acid SCHEMBL17273314 0.83 TDP1 (0.81) TDP1L3MBTL1TRPV1TBXAS1CYP2A6
SCHEMBL2188415 0.83 KCNH2 (0.55) TDP1MEN1NPC1RAB9AKMT2A
SCHEMBL10472253 0.82 TDP1 (0.51) TDP1L3MBTL1TRPV1TBXAS1
Bicarbonate SCHEMBL9520572 0.81 TDP1 (0.83) TDP1L3MBTL1TRPV1TBXAS1CYP2A6
Bicarbonate SCHEMBL9520418 0.80 TDP1 (0.81) TDP1L3MBTL1TRPV1TBXAS1CYP2A6

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 4165/4885CHRNA7 1879/4885

“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.