SCHEMBL2636620

SCHEMBL2636620

O=C(O)c1cn(C2CCNC2)nn1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.41
SMYD3 Q9H7B4 1/20 0.41
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
GSK3B P49841 3/20 0.38
DYRK1A Q13627 3/20 0.38
PSMB8 P28062 8/20 0.37
PSMB5 P28074 8/20 0.37
PSMB9 P28065 4/20 0.37
RORC P51449 1/20 0.37
PLAT P00750 1/20 0.36
PAICS P22234 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
Hydrochloric Acid SCHEMBL8130097 0.98 KDM2B (0.41) KDM2BSMYD3ROCK2ROCK1GSK3B
SCHEMBL2636030 0.91 ROCK2 (0.47) SMYD3ROCK2ROCK1GSK3BDYRK1A
SCHEMBL70303 0.82 SMYD3 (0.55) SMYD3PSMB8PSMB5PSMB9RORC
SCHEMBL71503 0.79 PSMB8 (0.53) SMYD3PSMB8PSMB5PSMB9RORC
SCHEMBL30999011 0.77 SMYD3 (0.48) SMYD3ROCK2ROCK1GSK3BDYRK1A
Hydrochloric Acid SCHEMBL9321420 0.76 ROCK2 (0.36) SMYD3ROCK2ROCK1GSK3BDYRK1A
Trifluoroacetic Acid SCHEMBL31703673 0.75 KDM5A (0.38) KDM2B
SCHEMBL23921589 0.75 SMYD3 (0.68) SMYD3PSMB8PSMB5PSMB9RORC
SCHEMBL26052869 0.75 SMYD3 (0.46) SMYD3PSMB8PSMB5PSMB9RORC
SCHEMBL18352267 0.74 GSK3B (0.38) KDM2BSMYD3ROCK2ROCK1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US claimed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO claimed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US claimed
US-10973810-B2 Methods for the treatment of neurological disorders YUMANITY THERAPEUTICS, INC. (US) 2021-04-13 US disclosed
EP-3566055-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Yumanity Therapeutics, Inc. (US) 2019-11-13 EP disclosed
US-20180193325-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2018-07-12 US disclosed
WO-2018129403-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS YUMANITY THERAPEUTICS (US) 2018-07-12 WO 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-10973810-B2 Methods for the treatment of neurological disorders NLN, CLN6, OTC KDM2B 3822/4885SMYD3 2701/4885ROCK2 2269/4885
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 KDM2B 702/4885SMYD3 269/4885ROCK2 1749/4885
US-20180193325-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC KDM2B 3822/4885SMYD3 2701/4885ROCK2 2269/4885

“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.