SCHEMBL447420

SCHEMBL447420

COC1CCc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.66
PDPK1 O15530 1/20 0.50
PIN1 Q13526 1/20 0.44
CYP11B2 P19099 1/20 0.43
GPR84 Q9NQS5 1/20 0.42
SIGMAR1 Q99720 2/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
BCHE P06276 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
ACHE P22303 1/20 0.42
ADRA1A P35348 1/20 0.42
HTR6 P50406 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
SCHEMBL14209228 1.00 IDO1 (0.66) IDO1PDPK1PIN1CYP11B2GPR84
SCHEMBL21300294 1.00 IDO1 (0.66) IDO1PDPK1PIN1CYP11B2GPR84
Alcohol SCHEMBL388322 0.91 IDO1 (0.56) IDO1PDPK1PIN1GPR84MAOA
SCHEMBL3907558 0.88 IDO1 (0.68) IDO1PDPK1GPR84
SCHEMBL12727345 0.88 IDO1 (0.68) IDO1PDPK1GPR84
SCHEMBL31251494 0.88 IDO1 (0.68) IDO1PDPK1GPR84
SCHEMBL29518873 0.88 IDO1 (0.68) IDO1PDPK1GPR84
SCHEMBL2472307 0.88 IDO1 (0.68) IDO1PDPK1GPR84
SCHEMBL376248 0.83 IDO1 (0.70) IDO1PDPK1CYP11B2GPR84
SCHEMBL3814265 0.82 IDO1 (0.46) IDO1PDPK1PIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 US claimed
CN-110156577-A A kind of synthetic method of Beta-bromo ether compound 浙江工业大学 2019-08-23 CN claimed
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-06-27 US claimed
WO-2018026371-A1 DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2018-02-08 WO claimed
CN-106632217-A (4S, 7RS)-galaxolide synthesis method 北京安胜瑞力科技有限公司 2017-05-10 CN claimed
EP-0674232-B1 Recording sheets XEROX CORP (US) 2000-05-31 EP claimed
US-5082952-A Ligand exchange CIBA-GEIGY CORPORATION (US) 1992-01-21 US claimed
EP-0207889-B1 PROCESS FOR THE PREPARATION OF METALLOCENE COMPLEXES CIBA-GEIGY AG (CH) 1988-07-20 EP claimed
EP-0207889-A1 Process for the preparation of metallocene complexes CIBA-GEIGY AG (CH) 1987-01-07 EP claimed
EP-3850680-B1 ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2024-11-06 EP disclosed
EP-3850679-B1 ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2024-10-09 EP disclosed
US-20240124408-A1 Substituted Cyclohexanecarboxamides, Their Preparation and Their Therapeutic Application SANOFI (FR) 2024-04-18 US disclosed
CN-117567254-A Indane ring biphenyl liquid crystal compound and preparation method and application thereof 武汉轻工大学 2024-02-20 CN disclosed
CN-117510298-A Indane ring biphenyl liquid crystal composition and application thereof 武汉轻工大学 2024-02-06 CN disclosed
EP-0214103-B1 ADHESIVELY BONDED PHOTOSTRUCTURABLE POLYIMIDE FOIL CIBA-GEIGY AG (CH) 1990-06-27 EP disclosed
US-4935320-A Substrate, thermostable adhesive, self-supporting, photocrosslinkable polyimide film CIBA-GEIGY CORPORATION (US) 1990-06-19 US disclosed
US-4786569-A Adhesively bonded photostructurable polyimide film CIBA-GEIGY CORPORATION (US) 1988-11-22 US disclosed
EP-0207889-B1 PROCESS FOR THE PREPARATION OF METALLOCENE COMPLEXES CIBA-GEIGY AG (CH) 1988-07-20 EP disclosed
EP-0214103-A2 Adhesively bonded photostructurable polyimide foil CIBA-GEIGY AG (CH) 1987-03-11 EP disclosed
EP-0207889-A1 Process for the preparation of metallocene complexes CIBA-GEIGY AG (CH) 1987-01-07 EP 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 (3 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-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SCN2A, HTR2A, HTR2C IDO1 724/4885PDPK1 1256/4885PIN1 3338/4885
US-20240124408-A1 Substituted Cyclohexanecarboxamides, Their Preparation and Their Therapeutic Application TRPM8, TAS2R8, TRPM7 IDO1 4208/4885PDPK1 2724/4885PIN1 4346/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C IDO1 724/4885PDPK1 1256/4885PIN1 3338/4885

“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.