SCHEMBL3598376

SCHEMBL3598376

O=C(O)NCC1CCN(CCC#Cc2ccc(Cl)cc2F)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.42
CACNA1I Q9P0X4 5/20 0.42
KCNH2 Q12809 3/20 0.42
TP53 P04637 3/20 0.41
MAPT P10636 2/20 0.41
CXCR3 P49682 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL3598760 0.88 TP53 (0.44) HTR7CACNA1IKCNH2TP53MAPT
SCHEMBL3594334 0.83 GRIN2B (0.51)
SCHEMBL3598379 0.80 CCR5 (0.43) CXCR3
SCHEMBL2975120 0.79
SCHEMBL2975122 0.73 UBE2M (0.33) CXCR3
SCHEMBL3593973 0.73 ARG1 (0.51) CACNA1IKCNH2
SCHEMBL3594120 0.70 MAPT (0.55) CACNA1IKCNH2TP53MAPTSMN1; SMN2
SCHEMBL3593316 0.70 CCR2 (0.67) CACNA1IKCNH2TP53
SCHEMBL3592177 0.69 FAAH (0.59) HTR7
Hydrochloric Acid SCHEMBL3592266 0.69 CCR2 (0.65) CACNA1IKCNH2TP53

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 HTR7 616/4885CACNA1I 882/4885KCNH2 920/4885

“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.