SCHEMBL3589414

SCHEMBL3589414

O=C(O)NCC1CCN(Cc2ccc(-c3ccc(F)cc3)cc2F)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
ALDH1A1 P00352 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
CHRM4 P08173 3/20 0.47
POLB P06746 1/20 0.47
SIGMAR1 Q99720 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
ACHE P22303 3/20 0.44
GSK3B P49841 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
CXCR3 P49682 2/20 0.43
FAAH O00519 1/20 0.43
BCHE P06276 1/20 0.43
CCR3 P51677 1/20 0.43

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
SCHEMBL3935459 0.89 CHRM4 (0.59) ALDH1A1TDP1CHRM4ACHEMAOA
SCHEMBL3592322 0.89 POLB (0.50) KMT2AMEN1ALDH1A1CHRM4POLB
SCHEMBL3945562 0.78 CHRM4 (0.59) CHRM4ACHEBCHE
SCHEMBL3589417 0.77 ALDH1A1 (0.52) ALDH1A1TDP1SIGMAR1ACHECXCR3
SCHEMBL2972293 0.77 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1TDP1CHRM4
SCHEMBL16858883 0.76 ROCK1 (0.48) KMT2AMEN1ALDH1A1TDP1POLB
SCHEMBL2972291 0.74 ALDH1A1 (0.47) ALDH1A1TDP1CHRM4SIGMAR1ACHE
SCHEMBL2981417 0.74 ACHE (0.48) KMT2AMEN1ALDH1A1TDP1CHRM4
SCHEMBL3942388 0.74 ACHE (0.67) POLBACHEFAAHBCHE
SCHEMBL21101177 0.72 CXCR3 (0.65) KMT2AMEN1ALDH1A1TDP1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720550-B1 DERIVATIVES OF PIPERIDINYLALKYLCARBAMATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS SANOFI AVENTIS (FR) 2009-04-15 EP claimed
US-20100279998-A1 PIPERIDINYLALKYLCARBAMATE DERIVATIVES, METHODS FOR THEIR PREPARATION AND THE THERAPEUTIC USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS SANOFI-AVENTIS (FR) 2010-11-04 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-20100279998-A1 PIPERIDINYLALKYLCARBAMATE DERIVATIVES, METHODS FOR THEIR PREPARATION AND THE THERAPEUTIC USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS FAAH, FAAH2, CNR2 KMT2A 3502/4885MEN1 4752/4885ALDH1A1 974/4885

“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.