SCHEMBL2159807

SCHEMBL2159807

CC(C)C(C)(C(=O)NCCCOc1ccccc1)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.61
RECQL P46063 2/20 0.58
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
HPGD P15428 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
POLB P06746 1/20 0.52
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
HTR1B P28222 2/20 0.49
HTT P42858 2/20 0.48
GAA P10253 2/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL2159775 0.96 MTNR1A (0.60) L3MBTL1RECQLMTNR1AMTNR1BHPGD
SCHEMBL2159850 0.81 TSHR (0.44) L3MBTL1RECQLHPGDNPC1RAB9A
SCHEMBL16253015 0.80 MTNR1A (0.68) L3MBTL1RECQLMTNR1AMTNR1BHPGD
SCHEMBL24920672 0.79 CA12 (0.67) L3MBTL1RECQLMTNR1AMTNR1BHPGD
SCHEMBL2159869 0.78 CYP2D6 (0.59) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL4881440 0.77 TSHR (0.50) RECQLHPGDMEN1KMT2APOLB
SCHEMBL24832399 0.77 MTNR1A (0.62) L3MBTL1RECQLMTNR1AMTNR1BHPGD
SCHEMBL3543442 0.76 L3MBTL1 (0.69) L3MBTL1RECQLMTNR1AMTNR1BHPGD
SCHEMBL2160510 0.75 MTNR1A (0.66) MTNR1AMTNR1BNPC1RAB9APOLB
SCHEMBL4881902 0.75 ALDH1A1 (0.54) L3MBTL1HPGDKMT2APOLBSMN1; SMN2

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 L3MBTL1 3864/4885RECQL 443/4885MTNR1A 424/4885

“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.