SCHEMBL42663

SCHEMBL42663

[NH]C1CCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.50
PDPK1 O15530 1/20 0.50
CYP11B2 P19099 2/20 0.47
RET P07949 1/20 0.43
HTR2A P28223 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CYP19A1 P11511 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HTR6 P50406 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL2777830 1.00 IDO1 (0.50) IDO1PDPK1CYP11B2RETHTR2A
SCHEMBL2777539 1.00 IDO1 (0.50) IDO1PDPK1CYP11B2RETHTR2A
SCHEMBL1705439 0.86 IDO1 (0.53) IDO1PDPK1
SCHEMBL1735441 0.86 IDO1 (0.53) IDO1PDPK1
SCHEMBL1735423 0.86 IDO1 (0.53) IDO1PDPK1
SCHEMBL11671198 0.75 SRD5A1 (0.55) IDO1PDPK1CYP11B2RETHTR2A
SCHEMBL9179507 0.75 HTR2A (0.52) IDO1PDPK1CYP11B2RETHTR2A
SCHEMBL11569221 0.74 PLAU (0.52) IDO1PDPK1
SCHEMBL10633202 0.73 IDO1 (0.52) IDO1PDPK1CYP11B2RETHTR2A
Magnesium SCHEMBL31510119 0.73 SRD5A1 (0.53) IDO1PDPK1CYP11B2RETHTR2A

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 125 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199542-A1 SUBSTITUTED PYRROLIDIN-2-ONES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2024-06-20 US claimed
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2024-04-11 US claimed
CN-117043140-A Substituted pyrrolidin-2-ones, salts thereof and their use as herbicidal active substances 拜耳公司 2023-11-10 CN claimed
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases AZEVAN PHARMACEUTICALS, INC. (US) 2022-05-03 US claimed
US-9597314-B2 Beta-lactamylalkanoic acids for treating premenstrual disorders AZEVAN PHARMACEUTICALS, INC. (US) 2017-03-21 US claimed
US-8183239-B2 Substituted piperazines and piperidines as modulators of the neuropeptide Y2 receptor JANSSEN PHARMACEUTICA NV (BE) 2012-05-22 US claimed
US-7674907-B2 Furanopyridine derivatives and methods of use AMGEN INC. (US) 2010-03-09 US claimed
EP-1948629-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-30 EP claimed
EP-1791845-A2 FURANOPYRIDINE DERIVATIVES AS ACK1 AND LCK MODULATORS AMGEN INC. (US) 2007-06-06 EP claimed
WO-2007053436-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 WO claimed
US-7122570-B2 Tetrahydrocarbazol derivatives as ligands for G-protein-coupled receptors (GPCR) ZENTARIS AG (DE) 2006-10-17 US claimed
EP-1677830-A2 ANTAGONISTS OF THE BRADYKININ B1 RECEPTOR Amgen Inc. (US) 2006-07-12 EP claimed
US-20060046977-A1 Furanopyridine derivatives and methods of use AMGEN INC. 2006-03-02 US claimed
US-20050215470-A1 Antagonists of the bradykinin B1 receptor AMGEN INC. 2005-09-29 US claimed
EP-1334085-B1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME (GB) 2005-08-24 EP claimed
WO-2005042027-A2 ANTAGONISTS OF THE BRADYKININ B1 RECEPTOR AMGEN INC. (US) 2005-05-12 WO claimed
US-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha LUM ROBERT T (US) 2005-04-14 US claimed
US-20040049038-A1 Sulfamides as gamma-secretase inhibitors MERCK SHARP & DOHME (UK) LIMITED (GB) 2004-03-11 US claimed
US-20030232873-A1 Tetrahydrocarbazol derivatives as ligands for G-protein-coupled receptors (GPCR) ZENTARIS AG (DE) 2003-12-18 US claimed
US-20020058788-A1 Facile deprotection of Fmoc protected amino groups DISCOVERY PARTNERS INTERNATIONAL, INC. 2002-05-16 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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-20060046977-A1 Furanopyridine derivatives and methods of use LCK, NFATC1, MINK1 IDO1 12/4885PDPK1 155/4885CYP11B2 723/4885
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT IDO1 3872/4885PDPK1 3215/4885CYP11B2 2250/4885
US-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha IKBKB, NFKB1, CDK4 IDO1 2053/4885PDPK1 816/4885CYP11B2 2805/4885
US-20020058788-A1 Facile deprotection of Fmoc protected amino groups DNPEP, LNPEP, NPEPPS IDO1 560/4885PDPK1 4589/4885CYP11B2 3420/4885
US-20050215470-A1 Antagonists of the bradykinin B1 receptor BDKRB1, BDKRB2, OPRL1 IDO1 1647/4885PDPK1 3569/4885CYP11B2 2323/4885
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B IDO1 2561/4885PDPK1 1812/4885CYP11B2 1404/4885
US-20240199542-A1 SUBSTITUTED PYRROLIDIN-2-ONES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES HPD, DDT, PPOX IDO1 274/4885PDPK1 620/4885CYP11B2 263/4885
US-20030232873-A1 Tetrahydrocarbazol derivatives as ligands for G-protein-coupled receptors (GPCR) GPR4, GPR88, GPR35 IDO1 3973/4885PDPK1 1290/4885CYP11B2 485/4885
US-20040049038-A1 Sulfamides as gamma-secretase inhibitors BACE1, BACE2, PSEN1 IDO1 3070/4885PDPK1 3391/4885CYP11B2 2865/4885

“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.