SCHEMBL3596545

SCHEMBL3596545

O[C@@H]1CCCc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.53
TSHR P16473 2/20 0.49
BLM P54132 1/20 0.49
HTT P42858 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
EPHX1 P07099 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SLC18A3 Q16572 1/20 0.45
CAMK2A Q9UQM7 1/20 0.45

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
SCHEMBL3583014 1.00 IDO1 (0.53) IDO1TSHRBLMHTTALDH1A1
SCHEMBL59026 1.00 IDO1 (0.53) IDO1TSHRBLMHTTALDH1A1
SCHEMBL29449692 1.00 IDO1 (0.53) IDO1TSHRBLMHTTALDH1A1
Benzene SCHEMBL28873131 0.98 IDO1 (0.52) IDO1TSHRBLMHTTALDH1A1
Hydrochloric Acid SCHEMBL22770167 0.98 IDO1 (0.55) IDO1TSHRBLMHTTALDH1A1
Bromide SCHEMBL9033434 0.98 IDO1 (0.52) IDO1TSHRBLMHTTALDH1A1
Water SCHEMBL28334394 0.98 IDO1 (0.52) IDO1TSHRBLMHTTALDH1A1
SCHEMBL29622997 0.94 TSHR (0.48) IDO1TSHRBLMHTTEPHX1
SCHEMBL29182252 0.94 TSHR (0.48) IDO1TSHRBLMHTTEPHX1
SCHEMBL2192515 0.94 TSHR (0.48) IDO1TSHRBLMHTTEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6589777-B1 Use to prepare enantiomerically pure precursor material for sertraline synthesis - \"(4S) tetralone\" or 4-(3,4-dichloro-phenyl)-3,4-dihydro-1(2H)-naphthalenone and for subsequent use in preparation of antidepressant and anorectic agents PFIZER INC. 2003-07-08 US claimed
CN-111320651-B Chiral amino-pyridine-phosphine tridentate ligand, manganese complex, preparation method and application thereof 中国科学院上海有机化学研究所 2023-01-17 CN disclosed
CN-110467609-B Aggregation-induced emission material with circular polarization luminescence and thermal activation delayed fluorescence emission simultaneously, and preparation method and application thereof 华南师范大学 2023-01-10 CN disclosed
CN-110003084-B Organic circular polarization luminescent material with both mechanoluminescence and aggregation-induced luminescence characteristics, and preparation method and application thereof 华南师范大学 2022-08-02 CN disclosed
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 US disclosed
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 US disclosed
EP-2706999-B1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2019-08-28 EP disclosed
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-06-27 US disclosed
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-06-27 US disclosed
WO-2018026371-A1 DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2018-02-08 WO disclosed
US-6005133-A STEREOSELECTIVELY REDUCING PROCHIRAL KETONE TO ENANTIOMERICALLY PURE ALCOHOL BY REACTING SAID KETONE WITH BORANE REDUCING AGENT USING OXAZABOROLIDINE CATALYST PFIZER INC. (US) 1999-12-21 US disclosed
EP-0698028-B1 ENANTIOSELECTIVE OXAZABOROLIDINE CATALYSTS PFIZER (US) 1997-02-26 EP disclosed
EP-0640089-B1 ENANTIOSELECTIVE OXAZABOROLIDINE CATALYSTS PFIZER (US) 1996-12-27 EP disclosed
US-5552548-A Enantioselective oxazaborolidine catalysts PFIZER INC. (US) 1996-09-03 US disclosed
CN-1124962-A Enantioselective oxazaborolidine catalysts PFIZER (US) 1996-06-19 CN disclosed
EP-0698028-A1 ENANTIOSELECTIVE OXAZABOROLIDINE CATALYSTS PFIZER (US) 1996-02-28 EP disclosed
EP-0640089-A1 ENANTIOSELECTIVE OXAZABOROLIDINE CATALYSTS. PFIZER (US) 1995-03-01 EP disclosed
WO-1994026751-A1 ENANTIOSELECTIVE OXAZABOROLIDINE CATALYSTS PFIZER INC. (US) 1994-11-24 WO disclosed
WO-1993023408-A1 ENANTIOSELECTIVE OXAZABOROLIDINE CATALYSTS PFIZER INC. (US) 1993-11-25 WO disclosed
US-4497960-A Chiral, optically active compounds useful as protective groups for hydroxy, thiol and amino compounds NOE CHRISTIAN (AT) 1985-02-05 US 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 (2 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 724/4885TSHR 2163/4885BLM 2269/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C IDO1 724/4885TSHR 2163/4885BLM 2269/4885

“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.