SCHEMBL442550

SCHEMBL442550

NCC1CCC2(CC1)OCCO2

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KCNH2 Q12809 1/20 0.36
NCF1 P14598 1/20 0.34
PLG P00747 1/20 0.32
PLAT P00750 1/20 0.32
LMNA P02545 1/20 0.32
GPR119 Q8TDV5 1/20 0.31

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
SCHEMBL3541972 0.86 CYP3A4 (0.39) CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL1192952 0.82 GPR119 (0.35) CYP3A4CYP2C9CYP2C19GPR119
SCHEMBL4718259 0.79 CYP3A4 (0.40) CYP3A4CYP2C9CYP2C19KCNH2NCF1
SCHEMBL1193411 0.79 SIGMAR1 (0.41) CYP3A4CYP2C9CYP2C19GPR119
SCHEMBL8516141 0.78 GPR119 (0.32) LMNAGPR119
Hydrochloric Acid SCHEMBL4840161 0.77 CYP3A4 (0.39) CYP3A4CYP2C9CYP2C19KCNH2NCF1
SCHEMBL25346880 0.76 GPR119 (0.31) GPR119
SCHEMBL1968451 0.76 GPR119 (0.31) GPR119
SCHEMBL87245 0.76 POLB (0.42) LMNAGPR119
SCHEMBL51112 0.76 GPR119 (0.34) LMNAGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024011214-A1 THERAPEUTIC COMPOUNDS AND METHODS ACTIO BIOSCIENCES, INC. (US) 2024-01-11 WO disclosed
US-20230159527-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2023-05-25 US disclosed
EP-4146649-A1 COMPOUNDS AS BCL-2 INHIBITORS Fochon Pharmaceuticals, Ltd. (CN) 2023-03-15 EP disclosed
US-20220281823-A1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORgT JANSSEN PHARMACEUTICA NV (BE) 2022-09-08 US disclosed
EP-3807251-B1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2022-09-07 EP disclosed
EP-3807261-B1 PYRIDINYL PYRAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2022-07-13 EP disclosed
EP-3807261-B1 PYRIDINYL PYRAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2022-07-13 EP disclosed
US-11345666-B2 Phenyl and pyridinyl substituted imidazoles as modulators of RORγT JANSSEN PHARMACEUTICA NV (BE) 2022-05-31 US disclosed
US-11345666-B2 Phenyl and pyridinyl substituted imidazoles as modulators of RORγT JANSSEN PHARMACEUTICA NV (BE) 2022-05-31 US disclosed
US-20210403467-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2021-12-30 US disclosed
WO-2003048155-A1 THROMBIN INHIBITORS UNIVERSITY OF LJUBLJANA (SI) 2003-06-12 WO disclosed
EP-1311475-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-05-21 EP disclosed
US-6380218-B1 FOR THERAPY OF RESPIRATORY, ALLERGIC, AND INFLAMMATORY DISORDERS COMPRISING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ACUTE RESPIRATORY DISEASE SYNDROME, PULMONARY HYPERSENSITIVITY, AND ALLERGIC RHINITIS IN A MAMMAL PFIZER INC 2002-04-30 US disclosed
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors F.HOFFMANN-LA ROCHE AG (CH) 2002-04-18 US disclosed
WO-2002014267-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-21 WO disclosed
EP-0971894-A1 NICOTINAMIDE DERIVATIVES Pfizer Products Inc. (US) 2000-01-19 EP disclosed
WO-1998045268-A1 NICOTINAMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-10-15 WO disclosed
US-5494918-A ANTICHOLESTEROL AGENTS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-02-27 US disclosed
US-5385912-A Hypocholesterolemic or hypolipidemic agents RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-01-31 US disclosed
WO-1992015579-A1 MULTICYCLIC TERTIARY AMINE POLYAROMATIC SQUALENE SYNTHETASE INHIBITORS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-09-17 WO 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-20220281823-A1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORgT RORC, RORB, RORA CYP3A4 635/4885CYP2C9 1200/4885CYP2C19 1283/4885
US-20230159527-A1 COMPOUNDS AS BCL-2 INHIBITORS BCL2, BCL2L2, BCL2L1 CYP3A4 3544/4885CYP2C9 3700/4885CYP2C19 3647/4885
US-11345666-B2 Phenyl and pyridinyl substituted imidazoles as modulators of RORγT RORC, RORB, RORA CYP3A4 525/4885CYP2C9 1213/4885CYP2C19 1110/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 CYP3A4 499/4885CYP2C9 460/4885CYP2C19 418/4885

“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.