SCHEMBL794607

SCHEMBL794607

COC(Cc1ccccc1)NC[Si](C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.41
TAAR1 Q96RJ0 4/20 0.39
CYP2D6 P10635 2/20 0.39
SLC18A2 Q05940 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
SLC6A2 P23975 2/20 0.37
MAOA P21397 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CYP2A6 P11509 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL3631295 0.79 SIGMAR1 (0.40) SIGMAR1TSHR
SCHEMBL21243266 0.77 SIGMAR1 (0.47) SIGMAR1TAAR1CYP2D6SLC18A2SLC6A2
SCHEMBL20357548 0.76 SIGMAR1 (0.42) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL7870000 0.76 SIGMAR1 (0.55) SIGMAR1TAAR1CYP2D6SLC18A2SLC6A2
SCHEMBL23387949 0.75 CYP2D6 (0.50) SIGMAR1TAAR1CYP2D6SLC18A2SLC6A2
SCHEMBL20394559 0.75 SIGMAR1 (0.53) SIGMAR1TAAR1CYP2D6SLC18A2SLC6A2
SCHEMBL9545301 0.73 NPC1 (0.44) SIGMAR1CYP1A2TSHR
Hydrochloric Acid SCHEMBL11525467 0.73 TAAR1 (0.45) SIGMAR1TAAR1CYP2D6SLC18A2CYP3A4
SCHEMBL19253832 0.72 SIGMAR1 (0.44) SIGMAR1CYP3A4
SCHEMBL5544627 0.71 NPC1 (0.53) TAAR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025076226-A1 FUSED HETEROCYCLES FOR TREATING NEURODEGENERATIVE DISEASES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2025-04-10 WO disclosed
WO-2024026484-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
EP-4204420-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MAGL INHIBITORS F. Hoffmann-La Roche AG (CH) 2023-07-05 EP disclosed
US-20220363694-A1 N-CYANO-7-AZANORBORNANE DERIVATIVES AND USES THEREOF AMGEN INC. (US) 2022-11-17 US disclosed
EP-4013756-A1 MLL1 INHIBITORS AND ANTI-CANCER AGENTS Novartis AG (CH) 2022-06-22 EP disclosed
EP-3873530-A1 THERAPEUTIC METHODS Genevant Sciences GmbH (CH) 2021-09-08 EP disclosed
WO-2021053617-A1 MLL1 INHIBITORS AND ANTI-CANCER AGENTS NOVARTIS AG (CH) 2021-03-25 WO disclosed
EP-3610017-A2 TARGETED COMPOSITIONS Arbutus Biopharma Corporation (CA) 2020-02-19 EP disclosed
US-RE47221-E1 Tricyclic compounds ABBVIE INC. (US) 2019-02-05 US disclosed
WO-2018191278-A2 TARGETED COMPOSITIONS ARBUTUS BIOPHARMA CORPORATION (CA) 2018-10-18 WO disclosed
WO-2010135560-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-11-25 WO disclosed
EP-2148853-A1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2010-02-03 EP disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
WO-2008128711-A1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2008-10-30 WO disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US disclosed
EP-1565436-A4 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2007-07-18 EP disclosed
EP-1565436-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-08-24 EP disclosed
WO-2004050024-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2004-06-17 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 (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-20090118284-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPK10 SIGMAR1 1543/4885TAAR1 2976/4885CYP2D6 720/4885
US-20070191604-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 SIGMAR1 1454/4885TAAR1 2868/4885CYP2D6 862/4885
US-20220363694-A1 N-CYANO-7-AZANORBORNANE DERIVATIVES AND USES THEREOF CYP3A7, CYP51A1, NT5C3B SIGMAR1 1641/4885TAAR1 2240/4885CYP2D6 248/4885

“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.