SCHEMBL442389

SCHEMBL442389

CC(C)(C)OC(=O)N1CCC(Cc2ccccc2)(C(=O)c2ccc3c(c2)c(C#N)cn3S(=O)(=O)c2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.43
RORC P51449 1/20 0.36
NAMPT P43490 5/20 0.35
BCHE P06276 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TACR1 P25103 1/20 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
SCHEMBL441553 0.89 HTR6 (0.44) HTR6RORCNAMPTBCHEGPR119
SCHEMBL443134 0.80 SLC6A2 (0.42) GPR119JAK2JAK1TACR1
SCHEMBL27761735 0.77 HTR6 (0.35) HTR6
SCHEMBL12350243 0.76 CNR2 (0.35) RORCGPR119JAK2JAK1TACR1
SCHEMBL442149 0.76 CCR5 (0.43) GPR119TACR1
SCHEMBL442532 0.74 SCN5A (0.40) TACR1
SCHEMBL2945622 0.74 HTR6 (0.43) HTR6BCHEGPR119
SCHEMBL441455 0.73 SLC6A2 (0.61)
SCHEMBL463960 0.73 SLC6A2 (0.61)
SCHEMBL12350314 0.73 SLC6A2 (0.61)

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2684871-B1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives HOFFMANN LA ROCHE (CH) 2016-05-04 EP disclosed
EP-2684871-B1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives HOFFMANN LA ROCHE (CH) 2016-05-04 EP disclosed
EP-2684871-A1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives F. Hoffmann-La Roche AG (CH) 2014-01-15 EP disclosed
EP-2684871-A1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives F. Hoffmann-La Roche AG (CH) 2014-01-15 EP disclosed
US-8513425-B2 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2013-08-20 US disclosed
US-20120065225-A1 HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES AND USES THEREOF IYER PRAVIN (US) 2012-03-15 US disclosed
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-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
EP-2354124-A2 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives F. Hoffmann-La Roche AG (CH) 2011-08-10 EP disclosed
EP-2102157-B1 HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-06-22 EP disclosed
EP-2102157-B1 HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-06-22 EP disclosed
EP-2297096-A2 ARYL KETONE AS MRI F. Hoffmann-La Roche AG (CH) 2011-03-23 EP disclosed
US-20090318493-A1 Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof ROCHE PALO ALTO LLC 2009-12-24 US disclosed
US-20090318493-A1 Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof ROCHE PALO ALTO LLC 2009-12-24 US disclosed
WO-2009153178-A2 ARYL KETONE AS MRI F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO disclosed
WO-2009153178-A2 ARYL KETONE AS MRI F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO disclosed
WO-2008074703-A1 HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 WO disclosed
US-20080146607-A1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof ROCHE PALO ALTO LLC 2008-06-19 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 2742/4885RORC 25/4885NAMPT 2408/4885
US-20080146607-A1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof CNKSR1, RB1, AR HTR6 2742/4885RORC 25/4885NAMPT 2408/4885
US-20090318493-A1 Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof TPH2, TPH1, ADRA2C HTR6 18/4885RORC 948/4885NAMPT 1104/4885

“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.