SCHEMBL282540

SCHEMBL282540

CC(C)Cc1ccc(CN)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
TAAR1 Q96RJ0 3/20 0.48
SLC6A2 P23975 2/20 0.48
SLC6A3 Q01959 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
PTGS1 P23219 3/20 0.47
PTGS2 P35354 3/20 0.47
LMNA P02545 2/20 0.47
CYP2C9 P11712 2/20 0.47
AKR1C3 P42330 2/20 0.47
CXCR1 P25024 2/20 0.47
CXCR2 P25025 2/20 0.47
ALB P02768 1/20 0.47
ESR1 P03372 1/20 0.47
ALOX5 P09917 1/20 0.47
RARB P10826 1/20 0.47
ADRB3 P13945 1/20 0.47
NFKB1 P19838 1/20 0.47
HTR2A P28223 1/20 0.47

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
SCHEMBL25146616 0.93 HRH3 (0.64) EPHX1HRH3TAAR1SLC6A2SLC6A3
Heptane SCHEMBL9131257 0.87 HTR2A (0.47) EPHX1TAAR1SLC6A2SLC6A3HTR2A
SCHEMBL1131597 0.86 PTGS1 (0.56) EPHX1PTGS1PTGS2LMNACYP2C9
SCHEMBL13934590 0.84 TAAR1 (0.67) TAAR1SLC6A2SLC6A3
SCHEMBL19395992 0.84 TAAR1 (0.67) TAAR1SLC6A2SLC6A3
SCHEMBL5174938 0.83 PTGS1 (0.54) EPHX1PTGS1PTGS2LMNACYP2C9
SCHEMBL1680442 0.81 PNMT (0.48) TAAR1SLC6A2SLC6A3LOXL2NFKB1
Hydrogen Peroxide SCHEMBL9581174 0.80 PTGS1 (0.64) EPHX1PTGS1PTGS2LMNACYP2C9
SCHEMBL3836100 0.80 TAAR1 (0.56) EPHX1TAAR1SLC6A2LOXL2HTR2A
Hydrochloric Acid SCHEMBL921011 0.80 NOS1 (0.49) TAAR1SLC6A2SLC6A3LOXL2NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026102082-A1 ALKYLPHENYL SUBSTITUTED COMPOUNDS, COMPOSITIONS AND METHODS OF USE DEEP APPLE THERAPEUTICS, INC. (US) 2026-05-15 WO disclosed
US-20260132119-A1 Alkylphenyl Substituted Compounds, Compositions and Methods of Use DEEP APPLE THERAPEUTICS, INC. (US) 2026-05-14 US disclosed
US-20230132621-A1 1,5-DIHYDRO-2,4-BENZODIAZEPINE-3-ONE DERIVATIVE AND APPLICATION THEREOF JIANGSU NHWA PHARMACEUTICAL CO., LTD (CN) 2023-05-04 US disclosed
US-20230117680-A1 CYCLOPHILIN D INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2023-04-20 US disclosed
US-20230029187-A1 MODULATORS OF PROGRAMMED DEATH-LIGAND-1 AND/OR PROGRAMMED DEATH-LIGAND-2 SOUTHERN RESEARCH INSTITUTE 2023-01-26 US disclosed
WO-2022150167-A2 NOVEL MACROCYCLIC OPIOID PEPTIDES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-07-14 WO disclosed
CN-111315800-B Triazine ring-containing polymer and composition comprising same 日产化学株式会社 2022-05-31 CN disclosed
US-20220112242-A1 SOMATOSTATIN RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USING THE SAME CDRD VENTURES INC. (CA) 2022-04-14 US disclosed
US-11279732-B2 Somatostatin receptor antagonist compounds and methods of using the same CDRD VENTURES INC. (CA) 2022-03-22 US disclosed
US-20220002251-A1 HUMAN TLR8-SELECTIVE AGONISTS UNIVERSITY OF KANSAS (US) 2022-01-06 US disclosed
WO-2007062314-A2 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
EP-1736470-A2 Pyrimidine derivatives as CB2 cannabinoid receptor modulators GLAXO GROUP LIMITED (GB) 2006-12-27 EP disclosed
US-6770650-B2 CHEMOKINE RECEPTOR (CCR) ANTAGONISTS SUCH AS N-(1(S)-(4-(3,4-DICHLOROBENZYL)PIPERAZIN-1-YLMETHYL)-2-METHYLPROPYL)-4 -METHYLBENZAMIDE DIHYDROCHLORIDE SALT FOR TREATMENT OF ASTHMA SYNTEX (U.S.A.) LLC 2004-08-03 US disclosed
US-6323223-B1 CCR-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, METHODS FOR THEIR USE AND METHODS FOR PREPARING THESE COMPOUNDS. SYNTEX (U.S.A.) LLC 2001-11-27 US disclosed
EP-0819000-A4 NODULISPORIC ACID DERIVATIVES MERCK & CO INC (US) 2001-04-11 EP disclosed
US-5962499-A ACARICIDAL, ANTIPARASITIC, INSECTICIDAL AND ANTHELMINTIC AGENTS MERCK & CO., INC. (US) 1999-10-05 US disclosed
EP-0819000-A1 NODULISPORIC ACID DERIVATIVES Merck & Co., Inc. (US) 1998-01-21 EP disclosed
WO-1996029073-A1 NODULISPORIC ACID DERIVATIVES MERCK & CO., INC. (US) 1996-09-26 WO disclosed
CN-1030701-C Indole derivatives and process for production thereof FUJISAWA PHARMACEUTICAL CO (JP) 1996-01-17 CN disclosed
CN-1056685-A Indole derivatives and preparation method thereof FUJISAWA PHARMACEUTICAL CO (JP) 1991-12-04 CN 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 (7 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-20230029187-A1 MODULATORS OF PROGRAMMED DEATH-LIGAND-1 AND/OR PROGRAMMED DEATH-LIGAND-2 PDCD1LG2, CD274, PDCD1 EPHX1 4749/4885HRH3 2980/4885TAAR1 3247/4885
US-20230132621-A1 1,5-DIHYDRO-2,4-BENZODIAZEPINE-3-ONE DERIVATIVE AND APPLICATION THEREOF HTR2C, HTR2A, HTR2B EPHX1 2731/4885HRH3 1289/4885TAAR1 627/4885
US-11279732-B2 Somatostatin receptor antagonist compounds and methods of using the same GPR119, SSTR5, SSTR2 EPHX1 4483/4885HRH3 655/4885TAAR1 271/4885
US-20220112242-A1 SOMATOSTATIN RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USING THE SAME GPR119, SSTR5, SSTR2 EPHX1 4454/4885HRH3 647/4885TAAR1 282/4885
US-20230117680-A1 CYCLOPHILIN D INHIBITORS AND USES THEREOF PPID, PPIF, PPIL1 EPHX1 737/4885HRH3 4318/4885TAAR1 1940/4885
US-20260132119-A1 Alkylphenyl Substituted Compounds, Compositions and Methods of Use GIPR, MC2R, GRPR EPHX1 3562/4885HRH3 766/4885TAAR1 1119/4885
US-20220002251-A1 HUMAN TLR8-SELECTIVE AGONISTS TLR7, TLR8, TLR9 EPHX1 4435/4885HRH3 254/4885TAAR1 204/4885

“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.