SCHEMBL415319

SCHEMBL415319

CCCCC1(C(=O)OC)CCCN1B(C)O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
DPP4 P27487 1/20 0.31
FAP Q12884 1/20 0.31
DPP7 Q9UHL4 1/20 0.31

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
SCHEMBL12056978 0.89
SCHEMBL12056985 0.74
SCHEMBL9658673 0.73 CYP4F2 (0.40) CYP4F2CYP4A11DPP4FAPDPP7
SCHEMBL11662231 0.72 CYP4F2 (0.37) CYP4F2CYP4A11
SCHEMBL441356 0.72 GRIN2B (0.35) CYP4F2CYP4A11
SCHEMBL413894 0.71 SLC6A4 (0.47)
SCHEMBL415308 0.69 SIRT2 (0.31)
SCHEMBL11660321 0.67 CYP4F2 (0.41) CYP4F2CYP4A11
SCHEMBL413241 0.67
SCHEMBL22208105 0.67 CYP4F2 (0.36) CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065225-A1 HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES AND USES THEREOF IYER PRAVIN (US) 2012-03-15 US disclosed
US-8084623-B2 heterocyclic ketones such as (3-Benzyl-pyrrolidin-3-yl)-(1H-indol-5-yl)-methanone, used as antidepressants or anxiolytic agents ROCHE PALO ALTO LLC (US) 2011-12-27 US disclosed
US-20090318493-A1 Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof ROCHE PALO ALTO LLC 2009-12-24 US disclosed
US-20080146607-A1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof ROCHE PALO ALTO LLC 2008-06-19 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 (3 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-20120065225-A1 HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES AND USES THEREOF CNKSR1, RB1, AR CYP4F2 962/4885CYP4A11 608/4885DPP4 3133/4885
US-20080146607-A1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof CNKSR1, RB1, AR CYP4F2 962/4885CYP4A11 608/4885DPP4 3133/4885
US-20090318493-A1 Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof TPH2, TPH1, ADRA2C CYP4F2 989/4885CYP4A11 1385/4885DPP4 1548/4885

“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.