SCHEMBL2189143

SCHEMBL2189143

CCCCCN(Cc1ccccn1)C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.47
HDAC1 Q13547 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 1/20 0.46
LIN28A Q9H9Z2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
F2 P00734 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL2185859 0.87 KDM4E (0.44) SMN1; SMN2TDP1HPGDHSD17B10ALDH1A1
SCHEMBL2187873 0.85 TRPM8 (0.47) TRPM8HDAC1SMN1; SMN2MAPTLIN28A
SCHEMBL2187238 0.85 L3MBTL1 (0.55) TRPM8SMN1; SMN2MAPTLIN28ATDP1
SCHEMBL6170953 0.83 TRPM8 (0.59) TRPM8SMN1; SMN2MAPTLIN28ATDP1
SCHEMBL10602330 0.82 GRIN2D (0.56) TRPM8HDAC1SMN1; SMN2MAPTLIN28A
SCHEMBL8616106 0.80 ALDH1A1 (0.48) TRPM8HDAC1SMN1; SMN2MAPTLIN28A
SCHEMBL10574137 0.80 CNR2 (0.47) SMN1; SMN2MAPTHPGDHSD17B10ALDH1A1
SCHEMBL427048 0.80 SMN1; SMN2 (0.52) TRPM8SMN1; SMN2MAPTLIN28ATDP1
Hydrochloric Acid SCHEMBL8617887 0.79 ALDH1A1 (0.47) TRPM8HDAC1SMN1; SMN2MAPTLIN28A
SCHEMBL9307035 0.79 MAPT (0.44) TRPM8SMN1; SMN2MAPTHPGDHSD17B10

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 9 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
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 TRPM8 254/4885HDAC1 553/4885SMN1; SMN2 4456/4885

“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.