SCHEMBL68337

SCHEMBL68337

Cc1ccc(C#N)cc1OC1CN(C(=O)CNC(=O)c2cc(-c3ccccc3)[nH]n2)C1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 8/20 0.37
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
KCNH2 Q12809 1/20 0.35
MCHR1 Q99705 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
RBP4 P02753 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
DGAT2 Q96PD7 1/20 0.34
SMYD2 Q9NRG4 1/20 0.34
USP30 Q70CQ3 2/20 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
SCHEMBL83670 0.85 P2RY12 (0.37) P2RY12KCNH2MCHR1RBP4SMYD2
SCHEMBL69855 0.82 P2RY12 (0.40) P2RY12
SCHEMBL29384858 0.81 SCD (0.46)
SCHEMBL70327 0.81 SCD (0.46)
SCHEMBL70422 0.81 USP30 (0.48) P2RY12DGAT2USP30
SCHEMBL70650 0.78 TDP1 (0.45) P2RY12
SCHEMBL70064 0.78 EPHX2 (0.47) P2RY12CYP11B1CYP11B2
SCHEMBL29382278 0.78 EPHX2 (0.47)
SCHEMBL69762 0.78 EPHX2 (0.47)
SCHEMBL69756 0.76 IKBKB (0.43) P2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 EP claimed
US-12433880-B2 Methods for the treatment of neurological disorders JANSSEN PHARMACEUTICA NV (BE) 2025-10-07 US disclosed
EP-3566055-B1 SCD INHIBITOR FOR THE TREATMENT OF NEUROLOGICAL DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2025-03-12 EP disclosed
US-20220040167-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2022-02-10 US disclosed
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 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-12433880-B2 Methods for the treatment of neurological disorders NLN, CLN6, OTC P2RY12 2448/4885ADORA2A 576/4885ADORA1 1412/4885
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 P2RY12 3918/4885ADORA2A 3998/4885ADORA1 4347/4885
US-20220040167-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC P2RY12 2448/4885ADORA2A 576/4885ADORA1 1412/4885

“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.