SCHEMBL8612552

SCHEMBL8612552

C[C@@H](N)C(=O)N1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.46
ALDH1A1 P00352 3/20 0.44
HTT P42858 1/20 0.43
DPP7 Q9UHL4 9/20 0.43
FAP Q12884 2/20 0.43
DPP8 Q6V1X1 2/20 0.43
PREP P48147 1/20 0.43
DPP9 Q86TI2 1/20 0.43
SMYD3 Q9H7B4 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP8 P22894 1/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL5891316 1.00 DPP4 (0.46) DPP4ALDH1A1HTTDPP7FAP
SCHEMBL16935735 1.00 DPP4 (0.46) DPP4ALDH1A1HTTDPP7FAP
SCHEMBL856280 1.00 DPP4 (0.46) DPP4ALDH1A1HTTDPP7FAP
Hydrochloric Acid SCHEMBL3947769 0.98 DPP4 (0.45) DPP4ALDH1A1HTTDPP7FAP
SCHEMBL1189333 0.98 DPP4 (0.44) DPP4ALDH1A1HTTDPP7FAP
SCHEMBL2768507 0.98 DPP4 (0.44) DPP4ALDH1A1HTTDPP7FAP
SCHEMBL389573 0.98 DPP4 (0.44) DPP4ALDH1A1HTTDPP7FAP
Hydrochloric Acid SCHEMBL4502967 0.95 DPP4 (0.43) DPP4ALDH1A1HTTDPP7FAP
Hydrochloric Acid SCHEMBL9653875 0.95 DPP4 (0.43) DPP4ALDH1A1HTTDPP7FAP
SCHEMBL14656016 0.93

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-8518945-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-08-27 US claimed
EP-2550273-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2013-01-30 EP claimed
US-20250282768-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2025-09-11 US disclosed
EP-4522607-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF-kB INDUCING KINASE JANSSEN Pharmaceutica NV (BE) 2025-03-19 EP disclosed
CN-119317626-A Pyrrolidone derivatives as inhibitors of NF- κb-induced kinase 詹森药业有限公司 2025-01-14 CN disclosed
WO-2023217851-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF-κB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 WO disclosed
US-8518945-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-08-27 US disclosed
US-20070259855-A1 THIAZOLYL-DIHYDRO-INDAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-08 US disclosed
US-20070259855-A1 THIAZOLYL-DIHYDRO-INDAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-08 US disclosed
WO-2007115930-A1 THIAZOLYLDIHYDROINDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO disclosed
US-5756733-A Vitamin D amide derivatives RESEARCH INSTITUTE FOR MEDICINE AND CHEMISTRY (US) 1998-05-26 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 (2 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-20250282768-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE NFKBIA, IKBKG, IKBKB DPP4 3896/4885ALDH1A1 4221/4885HTT 4008/4885
US-20070259855-A1 THIAZOLYL-DIHYDRO-INDAZOLE ROR1, RORB, RORA DPP4 532/4885ALDH1A1 60/4885HTT 908/4885

“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.