SCHEMBL2764583

SCHEMBL2764583

CC1CCC(C(=O)Cl)(C(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
EPHX1 P07099 1/20 0.32
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL20473351 0.80 MEN1 (0.39) ALDH1A1MEN1KMT2ACYP2C9CYP2C19
SCHEMBL15372490 0.78 MEN1 (0.38) ALDH1A1MEN1KMT2ACYP2C9CYP2C19
SCHEMBL118153 0.78 MEN1 (0.38) ALDH1A1MEN1KMT2AEPHX1CYP2C9
SCHEMBL3191405 0.77
SCHEMBL15360992 0.75 POLB (0.36) ALDH1A1MEN1KMT2ALMNA
SCHEMBL4821811 0.75 MEN1 (0.36) ALDH1A1MEN1KMT2AEPHX1
SCHEMBL5729318 0.73 FFAR3 (0.35) ALDH1A1MEN1KMT2ACYP2C9CYP2C19
SCHEMBL19405340 0.72 EPHX1 (0.43) ALDH1A1MEN1KMT2AEPHX1LMNA
SCHEMBL1616851 0.71 CCR2 (0.35) ALDH1A1MEN1KMT2AEPHX1
SCHEMBL2352621 0.71 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ACYP2C9CYP2C19

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11059783-B2 Pyridinyl cyclohexanecarboxamide cooling compounds GIVAUDAN S.A. (CH) 2021-07-13 US disclosed
US-20190194134-A1 PYRIDINYL CYCLOHEXANECARBOXAMIDE COOLING COMPOUNDS GIVAUDAN S.A. (CH) 2019-06-27 US disclosed
US-10221136-B2 Pyridinyl cyclohexanecarboxamide cooling compounds Givaudan, S.A. (CH) 2019-03-05 US disclosed
US-20170008845-A1 PYRIDINYL CYCLOHEXANECARBOXAMIDE COOLING COMPOUNDS GIVAUDAN SA (CH) 2017-01-12 US disclosed
US-9452982-B2 Pyridinyl cyclohexanecarboxamide cooling compounds Givaudan, S.A. (CH) 2016-09-27 US disclosed
EP-1685093-B1 N-SUBSTITUTED P-MENTHANE CARBOSAMIDED GIVAUDAN SA (CH) 2010-04-14 EP disclosed
US-20100035938-A1 Cooling Compounds GIVAUDAN SA (CH) 2010-02-11 US disclosed
US-20090105237-A1 Cooling compounds GIVAUDAN SA (CH) 2009-04-23 US disclosed
EP-1917074-A1 COOLING COMPOUNDS Givaudan SA (CH) 2008-05-07 EP disclosed
EP-1885327-A1 COOLING COMPOUNDS Givaudan SA (CH) 2008-02-13 EP disclosed
WO-2007019719-A1 COOLING COMPOUNDS GIVAUDAN SA (CH) 2007-02-22 WO disclosed
WO-2006125334-A1 COOLING COMPOUNDS GIVAUDAN SA (CH) 2006-11-30 WO disclosed
EP-1685093-A1 N-SUBSTITUTED P-MENTHANE CARBOSAMIDED Givaudan SA (CH) 2006-08-02 EP disclosed
WO-2005049553-A1 N-SUBSTITUTED P-MENTHANE CARBOSAMIDED GIVAUDAN SA (CH) 2005-06-02 WO disclosed
EP-1311158-B1 COMPOSITION HAVING INSECT REPELLENT CHARACTERISTICS GIVAUDAN SA (CH) 2004-08-11 EP disclosed
US-20040028714-A1 Composition having insect repellent characteristics GIVAUDAN SA (CH) 2004-02-12 US 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 (7 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-11059783-B2 Pyridinyl cyclohexanecarboxamide cooling compounds CBR3, TAS2R31, CTRB2 ALDH1A1 1675/4885MEN1 1266/4885KMT2A 807/4885
US-20170008845-A1 PYRIDINYL CYCLOHEXANECARBOXAMIDE COOLING COMPOUNDS CBR3, CTRB2, TAS2R31 ALDH1A1 1603/4885MEN1 1336/4885KMT2A 872/4885
US-20090105237-A1 Cooling compounds NR1H2, NR1H3, NR1H4 ALDH1A1 506/4885MEN1 4311/4885KMT2A 2377/4885
US-10221136-B2 Pyridinyl cyclohexanecarboxamide cooling compounds CBR3, CTRB2, TAS2R31 ALDH1A1 1603/4885MEN1 1336/4885KMT2A 872/4885
US-20100035938-A1 Cooling Compounds EBP, HRH1, TAS2R42 ALDH1A1 945/4885MEN1 882/4885KMT2A 1969/4885
US-20190194134-A1 PYRIDINYL CYCLOHEXANECARBOXAMIDE COOLING COMPOUNDS CBR3, TAS2R31, CTRB2 ALDH1A1 1675/4885MEN1 1266/4885KMT2A 807/4885
US-20040028714-A1 Composition having insect repellent characteristics SUV39H1, PNMT, SUV39H2 ALDH1A1 1790/4885MEN1 142/4885KMT2A 305/4885

“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.