SCHEMBL71503

SCHEMBL71503

O=C(O)c1cn(C2CCCC2)nn1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 8/20 0.53
PSMB5 P28074 8/20 0.53
PSMB9 P28065 4/20 0.53
SMYD3 Q9H7B4 1/20 0.49
RORC P51449 1/20 0.42
HCAR3 P49019 2/20 0.40
ACHE P22303 3/20 0.40
KDM6B O15054 2/20 0.39
KDM4A O75164 2/20 0.39
KDM5C P41229 2/20 0.39
KDM4C Q9H3R0 2/20 0.39
KDM2A Q9Y2K7 2/20 0.39
KDM3A Q9Y4C1 1/20 0.39

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
SCHEMBL70303 0.93 SMYD3 (0.55) PSMB8PSMB5PSMB9SMYD3RORC
SCHEMBL23921589 0.85 SMYD3 (0.68) PSMB8PSMB5PSMB9SMYD3RORC
SCHEMBL2636030 0.85 ROCK2 (0.47) PSMB8PSMB5PSMB9SMYD3RORC
SCHEMBL26052869 0.85 SMYD3 (0.46) PSMB8PSMB5PSMB9SMYD3RORC
SCHEMBL1058260 0.83 GSK3B (0.46) PSMB8PSMB5PSMB9SMYD3RORC
SCHEMBL18850877 0.83 PSMB8 (0.54) PSMB8PSMB5PSMB9SMYD3ACHE
SCHEMBL18850919 0.83 PSMB8 (0.54) PSMB8PSMB5PSMB9SMYD3ACHE
SCHEMBL19132794 0.82 RORC (0.46) PSMB8PSMB5PSMB9SMYD3RORC
SCHEMBL31124040 0.81 SMYD3 (0.41) PSMB8PSMB5PSMB9SMYD3RORC
SCHEMBL25243541 0.81 SMYD3 (0.41) PSMB8PSMB5PSMB9SMYD3RORC

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
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US claimed
WO-2010075356-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-01 WO claimed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 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
US-10487063-B2 Preparation method for 1-substituted-1H-1,2,3-triazole 4-carboxylic acid ABA CHEMICALS (SHANGHAI) LIMITED (CN) 2019-11-26 US disclosed
US-10487063-B2 Preparation method for 1-substituted-1H-1,2,3-triazole 4-carboxylic acid ABA CHEMICALS (SHANGHAI) LIMITED (CN) 2019-11-26 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-20180029999-A1 Preparation Method for 1-substituted-1H-1,2,3-triazole 4-carboxylic acid ABA CHEMICALS (SHANGHAI) LIMITED (CN) 2018-02-01 US disclosed
US-20180029999-A1 Preparation Method for 1-substituted-1H-1,2,3-triazole 4-carboxylic acid ABA CHEMICALS (SHANGHAI) LIMITED (CN) 2018-02-01 US disclosed
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
CN-102036558-A Novel piperidine derivatives as stearoyl-CoA desaturase inhibitors FOREST LAB HOLDINGS LTD 2011-04-27 CN disclosed
EP-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 EP disclosed
WO-2010075356-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-01 WO disclosed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 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 (6 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-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 PSMB8 3575/4885PSMB5 1370/4885PSMB9 4089/4885
US-10973810-B2 Methods for the treatment of neurological disorders NLN, CLN6, OTC PSMB8 3899/4885PSMB5 2390/4885PSMB9 4264/4885
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 PSMB8 3624/4885PSMB5 1587/4885PSMB9 3948/4885
US-20180193325-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC PSMB8 3899/4885PSMB5 2390/4885PSMB9 4264/4885
US-10487063-B2 Preparation method for 1-substituted-1H-1,2,3-triazole 4-carboxylic acid CLIC1, GRIK1, CA3 PSMB8 4231/4885PSMB5 4507/4885PSMB9 3806/4885
US-20180029999-A1 Preparation Method for 1-substituted-1H-1,2,3-triazole 4-carboxylic acid CLIC1, GRIK1, CA3 PSMB8 4231/4885PSMB5 4507/4885PSMB9 3806/4885

“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.