SCHEMBL2159869

SCHEMBL2159869

CC(C)C(C)(C(=O)NCC(O)COc1ccccc1)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.59
ADRB2 P07550 1/20 0.57
ADRB1 P08588 1/20 0.57
ADRB3 P13945 1/20 0.57
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPT P10636 3/20 0.50
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
DPP4 P27487 1/20 0.48
ATM Q13315 1/20 0.48
CASR P41180 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL15691093 0.82 CYP2D6 (0.61) CYP2D6ADRB2ADRB1ADRB3CYP1A2
SCHEMBL6630532 0.80 MAPT (0.64) CYP2D6ADRB2ADRB1ADRB3CYP1A2
SCHEMBL6630527 0.80 CYP2D6 (0.58) CYP2D6ADRB2ADRB1ADRB3CYP1A2
SCHEMBL6553912 0.79 CYP2D6 (0.61) CYP2D6ADRB2ADRB1ADRB3CYP1A2
SCHEMBL2160510 0.79 MTNR1A (0.66) CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL2159775 0.79 MTNR1A (0.60) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL7096059 0.79 CYP2D6 (0.56) CYP2D6ADRB2ADRB1ADRB3CYP1A2
SCHEMBL2159807 0.78 L3MBTL1 (0.61) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL15355179 0.78 CYP2D6 (0.53) CYP2D6ADRB2ADRB1ADRB3CYP1A2
SCHEMBL9330183 0.77 CYP2D6 (0.51) CYP2D6ADRB2ADRB1ADRB3CYP1A2

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-8377422-B2 Carboxamide derivatives having cooling properties GIVAUDAN S.A. (CH) 2013-02-19 US claimed
US-20110182833-A1 Carboxamide Derivatives Having Cooling Properties GIVAUDAN SA (CH) 2011-07-28 US claimed
EP-2229352-A2 CARBOXAMIDE DERIVATIVES HAVING COOLING PROPERTIES Givaudan SA (CH) 2010-09-22 EP claimed
WO-2009070910-A2 CARBOXAMIDE DERIVATIEVES HAVING COOLING PROPERTIES GIVAUDAN SA (CH) 2009-06-11 WO claimed
US-8377422-B2 Carboxamide derivatives having cooling properties GIVAUDAN S.A. (CH) 2013-02-19 US disclosed
US-20110182833-A1 Carboxamide Derivatives Having Cooling Properties GIVAUDAN SA (CH) 2011-07-28 US disclosed
EP-2229352-A2 CARBOXAMIDE DERIVATIVES HAVING COOLING PROPERTIES Givaudan SA (CH) 2010-09-22 EP disclosed
WO-2009070910-A2 CARBOXAMIDE DERIVATIEVES HAVING COOLING PROPERTIES GIVAUDAN SA (CH) 2009-06-11 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-20110182833-A1 Carboxamide Derivatives Having Cooling Properties CPS1, NQO2, NDUFA2 CYP2D6 435/4885ADRB2 1101/4885ADRB1 1132/4885

“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.