SCHEMBL415547

SCHEMBL415547

CB(O)N1CCC(Cc2ccccc2)(C(=O)c2ccc3c(ccn3C)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.42
SLC6A4 P31645 7/20 0.42
SLC6A3 Q01959 7/20 0.42
CYP2D6 P10635 2/20 0.42
KCNH2 Q12809 1/20 0.42
CHRNA7 P36544 4/20 0.41
FAAH O00519 1/20 0.39
FASN P49327 1/20 0.38
TP53 P04637 1/20 0.38
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
GHSR Q92847 2/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35

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
SCHEMBL415331 0.86 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL1692154 0.86 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL413871 0.82 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL413199 0.82 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL413227 0.82 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL415341 0.82 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL413425 0.81 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL442532 0.81 SCN5A (0.40) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL413794 0.80 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL415385 0.77 GRIN2B (0.47) SLC6A2SLC6A4SLC6A3

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 SLC6A2 4870/4885SLC6A4 4855/4885SLC6A3 4745/4885
US-20080146607-A1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof CNKSR1, RB1, AR SLC6A2 4870/4885SLC6A4 4855/4885SLC6A3 4745/4885
US-20090318493-A1 Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof TPH2, TPH1, ADRA2C SLC6A2 71/4885SLC6A4 57/4885SLC6A3 44/4885

“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.