SCHEMBL415338

SCHEMBL415338

[C-]#[N+]c1cn(S(=O)(=O)c2ccccc2)c2ccc(C(=O)C3(Cc4ccccc4)CCN(B(C)O)C3)cc12

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TNF P01375 2/20 0.34
AVPR1A P37288 1/20 0.34

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
SCHEMBL413846 0.89 HTR6 (0.37) HTR6LMNASMN1; SMN2TNFAVPR1A
SCHEMBL414303 0.81 SLC6A2 (0.41) LMNA
SCHEMBL415547 0.74 SLC6A2 (0.42)
SCHEMBL413871 0.73 SLC6A2 (0.40) LMNASMN1; SMN2
SCHEMBL441553 0.72 HTR6 (0.44) HTR6AVPR1A
SCHEMBL415341 0.72 SLC6A2 (0.65) LMNA
SCHEMBL413227 0.72 SLC6A2 (0.65) LMNA
SCHEMBL413199 0.72 SLC6A2 (0.65) LMNA
SCHEMBL442389 0.70 HTR6 (0.43) HTR6AVPR1A
SCHEMBL415331 0.69 SLC6A2 (0.39)

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 HTR6 2742/4885LMNA 1012/4885SMN1; SMN2 2914/4885
US-20080146607-A1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof CNKSR1, RB1, AR HTR6 2742/4885LMNA 1012/4885SMN1; SMN2 2914/4885
US-20090318493-A1 Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof TPH2, TPH1, ADRA2C HTR6 18/4885LMNA 2644/4885SMN1; SMN2 2033/4885

“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.