SCHEMBL3279486

SCHEMBL3279486

COc1ccc(CNC(=O)Oc2ccc(C#N)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.59
VNN1 O95497 1/20 0.55
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
FAAH O00519 1/20 0.52
GSK3B P49841 2/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
GAA P10253 2/20 0.50
TAAR1 Q96RJ0 1/20 0.50
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
ALDH1A1 P00352 2/20 0.49
PKM P14618 1/20 0.49
EPHX2 P34913 1/20 0.48
HPGD P15428 1/20 0.48
PPARA Q07869 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
SCHEMBL15881350 0.86 NPC1 (0.60) MGLLFAAHNPC1RAB9AALDH1A1
SCHEMBL27601834 0.83 MGLL (0.56) MGLLPOLBFAAHGSK3BNPC1
SCHEMBL6796538 0.83 EPHX2 (0.69) VNN1POLBMAPTNPC1RAB9A
SCHEMBL3275628 0.82 NPC1 (0.72) NPC1RAB9AGAATAAR1ALDH1A1
SCHEMBL5218049 0.81 FAAH (0.78) FAAHALDH1A1
4-Cyanophenyl Ethylcarbamate SCHEMBL27601848 0.79 MGLL (0.73) MGLLPOLBMAPTRAB9AALDH1A1
SCHEMBL3275558 0.79 NPC1 (0.67) NPC1RAB9AGAATAAR1ALDH1A1
SCHEMBL20401190 0.79 HTR2C (0.50) MGLLFAAHNPC1RAB9AMAOA
SCHEMBL2721206 0.78 ALDH1A1 (0.65) POLBNPC1RAB9AGAAALDH1A1
SCHEMBL6379591 0.78 LDHA (0.69) FAAHNPC1RAB9AGAATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696374-B2 Arylalklcarbamate derivatives, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2010-04-13 US claimed
US-20060223805-A1 Arylalklcarbamate derivatives, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2006-10-05 US claimed
US-7696374-B2 Arylalklcarbamate derivatives, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2010-04-13 US disclosed
EP-1972616-A1 Derivatives of arylalkylcarbamates, process for their preparation and therapeutic application thereof Sanofi-Aventis (FR) 2008-09-24 EP disclosed
US-20060223805-A1 Arylalklcarbamate derivatives, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2006-10-05 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 (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-20060223805-A1 Arylalklcarbamate derivatives, preparation method thereof and use of same in therapeutics GBA1, NAT1, AADAC MGLL 519/4885VNN1 1563/4885POLB 3514/4885

“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.