SCHEMBL3281978

SCHEMBL3281978

O=C(NCc1cccc(Cl)c1)Oc1ccccc1

nearest known ligand 0.84

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.58
HTT P42858 2/20 0.56
ALDH1A1 P00352 1/20 0.56
TAAR1 Q96RJ0 1/20 0.56
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
EPHX1 P07099 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
PLA2G1B P04054 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ATG4B Q9Y4P1 1/20 0.52
APEX1 P27695 1/20 0.51
GID4 Q8IVV7 1/20 0.51
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL17346751 0.89 ALDH1A1 (0.63) FAAHHTTALDH1A1TAAR1NPC1
SCHEMBL5108159 0.84 NPC1 (0.69) HTTALDH1A1TAAR1NPC1RAB9A
SCHEMBL241141 0.84 ALDH1A1 (0.58) FAAHHTTALDH1A1NPC1RAB9A
SCHEMBL1680576 0.84 ALDH1A1 (0.58) HTTALDH1A1NPC1RAB9AEPHX1
SCHEMBL3274554 0.83 NPC1 (0.65) FAAHHTTALDH1A1TAAR1NPC1
SCHEMBL1196240 0.83 MGLL (0.53) FAAHTAAR1CYP2C9CYP2C19L3MBTL1
SCHEMBL23447430 0.82 NPC1 (0.57) HTTALDH1A1NPC1RAB9AEPHX1
SCHEMBL28397858 0.82 ALDH1A1 (0.56) FAAHHTTALDH1A1NPC1RAB9A
SCHEMBL3282688 0.82 TSHR (0.68) FAAHHTTALDH1A1TAAR1NPC1
SCHEMBL22093747 0.82 ALDH1A1 (0.56) FAAHHTTALDH1A1TAAR1NPC1

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 7 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
CN-107417578-B N- (3, 5-dimethyl adamantane-1-yl) -N' -substituted phenylurea compound and preparation method and application thereof 沈阳海诺威医药科技有限公司 2020-02-07 CN disclosed
CN-107417578-A N (base of 3,5 dimethyladamantane 1) N ' substituted phenylurea compounds and its production and use 沈阳海诺威医药科技有限公司 2017-12-01 CN disclosed
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 FAAH 347/4885HTT 1883/4885ALDH1A1 32/4885

“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.