SCHEMBL2440927

SCHEMBL2440927

CC1CC1(C#N)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
MAOA P21397 7/20 0.40
MAOB P27338 7/20 0.40
KDM1A O60341 6/20 0.40
DPP4 P27487 3/20 0.36
OPRM1 P35372 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP1B1 Q16678 1/20 0.34
RCOR1 Q9UKL0 2/20 0.34

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
SCHEMBL6583918 0.74 MAOA (0.43) MAOAMAOBKDM1ADPP4OPRM1
SCHEMBL9852757 0.68 MAOA (0.33) LMNAMAOAMAOBKDM1ADPP4
SCHEMBL4678353 0.68 MAOA (0.48) MAOAMAOBKDM1ADPP4OPRM1
SCHEMBL4811682 0.67 MAOB (0.38) MAOAMAOB
SCHEMBL1841591 0.67 LMNA (0.46) LMNAMAOAMAOBKDM1AALDH1A1
SCHEMBL25537260 0.66 GRIN2B (0.46) LMNAMAOAKDM1AOPRM1ALDH1A1
SCHEMBL10073907 0.66 CTSC (0.43) LMNA
SCHEMBL9143256 0.65 KDM1A (0.46) LMNAMAOAMAOBKDM1ADPP4
SCHEMBL1722310 0.65 KDM1A (0.50) MAOAMAOBKDM1ADPP4OPRM1
SCHEMBL30958585 0.65 MAOA (0.48) LMNAMAOAMAOBKDM1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362765-A2 PERFUME SYSTEMS The Procter & Gamble Company (US) 2011-09-07 EP claimed
WO-2010065446-A2 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2010-06-10 WO claimed
US-20100137178-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY 2010-06-03 US claimed

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-20100137178-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 LMNA 2578/4885MAOA 45/4885MAOB 160/4885

“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.