SCHEMBL436177

SCHEMBL436177

C[C@H]1CC[C@@H](C(F)(F)F)CC1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL254857 1.00 NOS3 (0.30) NOS3NOS1NOS2
SCHEMBL436504 1.00 NOS3 (0.30) NOS3NOS1NOS2
SCHEMBL21638056 0.92
SCHEMBL9613616 0.92
SCHEMBL23432355 0.89
SCHEMBL999487 0.85 EPHX1 (0.32)
SCHEMBL13480367 0.85 LIPA (0.32)
SCHEMBL18060 0.83
SCHEMBL1035408 0.83 NOS3 (0.36) NOS3NOS1NOS2
SCHEMBL8791023 0.82 L3MBTL1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024115641-A1 NONCOVALENT KEAP1-NRF2 SMALL-MOLECULE INHIBITORS UNIVERSITY OF COPENHAGEN (DK) 2024-06-06 WO disclosed
WO-2023192408-A1 A3 ADENOSINE RECEPTOR POSITIVE ALLOSTERIC MODULATORS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-10-05 WO disclosed
US-20230295111-A1 IKAROS ZINC FINGER FAMILY DEGRADERS AND USES THEREOF GILEAD SCIENCES, INC. 2023-09-21 US disclosed
WO-2023178181-A1 IKAROS ZINC FINGER FAMILY DEGRADERS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2023-09-21 WO disclosed
EP-4245756-A1 IKAROS ZINC FINGER FAMILY DEGRADERS AND USES THEREOF Gilead Sciences, Inc. (US) 2023-09-20 EP disclosed
EP-3894409-B1 SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2023-08-23 EP disclosed
WO-2023122581-A2 IKAROS ZINC FINGER FAMILY DEGRADERS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2023-06-29 WO disclosed
US-20230190763-A1 Cyclopentathiophene Carboxamide Derivatives as Platelet Activating Factor Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-06-22 US disclosed
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-22 US disclosed
US-20230190763-A1 Cyclopentathiophene Carboxamide Derivatives as Platelet Activating Factor Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-06-22 US disclosed
US-20150259344-A1 IMIDAZOLE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-09-17 US disclosed
US-20150259344-A1 IMIDAZOLE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-09-17 US disclosed
US-8952169-B2 N-substituted benzamides and methods of use thereof XENON PHARMACEUTICALS INC. (CA) 2015-02-10 US disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
WO-2010100249-A1 3H-IMIDAZO [4, 5 -C] PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-10 WO disclosed
US-20100190687-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-07-29 US disclosed
US-7649199-B2 N-type semiconductor materials in thin film transistors and electronic devices EASTMAN KODAK COMPANY (US) 2010-01-19 US disclosed
US-20090256137-A1 N-TYPE SEMICONDUCTOR MATERIALS IN THIN FILM TRANSISTORS AND ELECTRONIC DEVICES BANK OF AMERICA, N.A., AS AGENT 2009-10-15 US disclosed
WO-2009100403-A1 SUBSTITUTED ARYL PYRIMIDINONES NEUROGEN CORPORATION (US) 2009-08-13 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 (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-20150259344-A1 IMIDAZOLE DERIVATIVE CHRNA4, CHRNB4, CHRNA7 NOS3 812/4885NOS1 1011/4885NOS2 849/4885
US-20100190687-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GCGR, GPR65 NOS3 2329/4885NOS1 1784/4885NOS2 1769/4885
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 NOS3 4013/4885NOS1 4171/4885NOS2 4166/4885
US-20230190763-A1 Cyclopentathiophene Carboxamide Derivatives as Platelet Activating Factor Receptor Antagonists PTAFR, PDGFRA, PDGFRB NOS3 643/4885NOS1 772/4885NOS2 719/4885
US-20230295111-A1 IKAROS ZINC FINGER FAMILY DEGRADERS AND USES THEREOF IKZF2, IKZF1, IKZF3 NOS3 4217/4885NOS1 4436/4885NOS2 4156/4885
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS NR3C1, NR3C2, CRH NOS3 873/4885NOS1 875/4885NOS2 953/4885

“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.