SCHEMBL2636030

SCHEMBL2636030

O=C(O)c1cn(C2CCNCC2)nn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
SMYD3 Q9H7B4 1/20 0.46
GSK3B P49841 3/20 0.43
DYRK1A Q13627 3/20 0.43
PSMB8 P28062 8/20 0.41
PSMB5 P28074 8/20 0.41
PSMB9 P28065 4/20 0.41
RORC P51449 1/20 0.40
PLAT P00750 1/20 0.40
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KDM6B O15054 1/20 0.36
KDM4A O75164 1/20 0.36
KDM5C P41229 1/20 0.36

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
SCHEMBL2636620 0.91 KDM2B (0.41) ROCK2ROCK1SMYD3GSK3BDYRK1A
Hydrochloric Acid SCHEMBL8130097 0.89 KDM2B (0.41) ROCK2ROCK1SMYD3GSK3BDYRK1A
SCHEMBL70303 0.88 SMYD3 (0.55) SMYD3PSMB8PSMB5PSMB9RORC
SCHEMBL30999011 0.86 SMYD3 (0.48) ROCK2ROCK1SMYD3GSK3BDYRK1A
SCHEMBL71503 0.85 PSMB8 (0.53) SMYD3PSMB8PSMB5PSMB9RORC
SCHEMBL23921518 0.82 SMYD3 (0.54) ROCK2ROCK1SMYD3GSK3BDYRK1A
SCHEMBL23921589 0.81 SMYD3 (0.68) SMYD3PSMB8PSMB5PSMB9RORC
SCHEMBL26052869 0.81 SMYD3 (0.46) SMYD3PSMB8PSMB5PSMB9RORC
SCHEMBL23921543 0.79 SMYD3 (0.45) ROCK2ROCK1SMYD3GSK3BDYRK1A
SCHEMBL1058260 0.79 GSK3B (0.46) SMYD3GSK3BDYRK1APSMB8PSMB5

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 11 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-20210317113-A1 1,2,3-TRIAZOLE DERIVATIVES AND USES THEREOF Alxerion Biotech LLC 2021-10-14 US disclosed
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 (4 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 ROCK2 2269/4885ROCK1 3087/4885SMYD3 2701/4885
US-20210317113-A1 1,2,3-TRIAZOLE DERIVATIVES AND USES THEREOF CYP3A43, CYP51A1, CYP11B2 ROCK2 1412/4885ROCK1 1529/4885SMYD3 2657/4885
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 ROCK2 1749/4885ROCK1 2296/4885SMYD3 269/4885
US-20180193325-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC ROCK2 2269/4885ROCK1 3087/4885SMYD3 2701/4885

“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.