SCHEMBL1282891

SCHEMBL1282891

CN1CCCc2ccc(O)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 9/20 0.53
DRD5 P21918 9/20 0.53
DRD2 P14416 8/20 0.53
DRD3 P35462 8/20 0.53
DRD4 P21917 6/20 0.53
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
ACHE P22303 1/20 0.40

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
SCHEMBL6211902 0.95 CHRM2 (0.49) DRD1DRD5DRD2DRD3DRD4
SCHEMBL93622 0.89 DRD1 (0.56) DRD1DRD5DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL11027184 0.87 DRD1 (0.55) DRD1DRD5DRD2DRD3DRD4
SCHEMBL3178012 0.85 MEN1 (0.58) DRD1DRD5DRD2DRD3DRD4
SCHEMBL2616323 0.79 ALDH1A1 (0.60) CHRM2CHRM4MEN1ALDH1A1GAA
SCHEMBL24359312 0.78 NOTUM (0.50) DRD1DRD5DRD2DRD3DRD4
SCHEMBL520908 0.78 BRD4 (0.51) DRD1DRD2ESR2MEN1ALDH1A1
SCHEMBL19703497 0.78 ALDH1A1 (0.46) DRD1DRD5DRD2DRD3DRD4
SCHEMBL19002502 0.78 ALDH1A1 (0.46) CHRM2MEN1ALDH1A1GAAMAPT
SCHEMBL31260115 0.78 ALDH1A1 (0.46) CHRM2MEN1ALDH1A1GAAMAPT

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022087624-A1 COMPOUNDS AS RAS INHIBITORS AND USES THEREOF BIOARDIS LLC (US) 2022-04-28 WO disclosed
EP-3747885-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-12-09 EP disclosed
US-20200140404-A1 HETEROCYCLYL POLYMETHINE IR CHROMOPHORES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-05-07 US disclosed
EP-2675790-B1 SUBSTITUTED 1, 2, 3, 4-TETRAHYDROQUINOLIN-7-YL CARBAMATES AS ACETYLCHOLINESTERASE INHIBITORS FOR TREATMENT OF ALZHEIMER'S DISEASE COUNCIL SCIENT IND RES (IN) 2015-11-18 EP disclosed
US-8946261-B2 Substituted 1, 2, 3, 4-tetrahydroquinolin-7-yl carbamates as acetylcholinesterase inhibitors for treatment of Alzheimer's disease COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-02-03 US disclosed
WO-2014063033-A2 NOVEL PROBES AND TARGETING COMOUNDS FOR MITOCHONDRIA MICHIGAN TECHNOLOGICAL UNIVERSITY (US) 2014-04-24 WO disclosed
EP-2675790-A1 SUBSTITUTED 1, 2, 3, 4-TETRAHYDROQUINOLIN-7-YL CARBAMATES AS ACETYLCHOLINESTERASE INHIBITORS FOR TREATMENT OF ALZHEIMER'S DISEASE Council of Scientific & Industrial Research (IN) 2013-12-25 EP disclosed
US-20130324573-A1 SUBSTITUTED 1, 2, 3, 4-TETRAHYDROQUINOLIN-7-YL CARBAMATES AS ACETYLCHOLINESTERASE INHIBITORS FOR TREATMENT OF ALZHEIMER'S DISEASE COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-12-05 US disclosed
WO-2012111021-A1 SUBSTITUTED 1, 2, 3, 4-TETRAHYDROQUINOLIN-7-YL CARBAMATES AS ACETYLCHOLINESTERASE INHIBITORS FOR TREATMENT OF ALZHEIMER'S DISEASE COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGISTRATION OF SOCIETIES ACT (ACT XXI OF 1860) (IN) 2012-08-23 WO disclosed
US-20120088916-A1 OCTAHYDRO BIQUINOLINE COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-04-12 US disclosed
US-20070031336-A1 3H-phenoxazine derivatives suitable as near-infrared imaging agents, preparation an use thereof NOVARTIS AG (CH) 2007-02-08 US disclosed
EP-1658294-B1 3H-PHENOXAZINE DERIVATIVES SUITABLE AS NEAR-INFRARED IMAGING AGENTS, PREPARATION AN USE THEREOF NOVARTIS AG (CH) 2007-01-10 EP disclosed
EP-1658294-A1 3H-PHENOXAZINE DERIVATIVES SUITABLE AS NEAR-INFRARED IMAGING AGENTS, PREPARATION AN USE THEREOF Novartis AG (CH) 2006-05-24 EP disclosed
WO-2005016934-A1 3H-PHENOXAZINE DERIVATIVES SUITABLE AS NEAR-INFRARED IMAGING AGENTS, PREPARATION AN USE THEREOF NOVARTIS AG (CH) 2005-02-24 WO disclosed
US-6025505-A FLUORESCENT LABELING PROBES FOR IMMUNOASSAYS, DNA SEQUENCING, DETECTING PRODUCTS OF POLYMERASE CHAIN REACTIONS THE PERKIN-ELMER CORPORATION (US) 2000-02-15 US disclosed
US-6017712-A NUCLEOTIDE LABELED WITH XANTHENE DYE HAVING NARROWER EMISSION SPECTRUM AND WITH ABSORPTION SPECTRUM SHIFTED TO THE RED; FOR MOLECULAR PROBES AND IN NUCLEIC ACID SEQUENCING APPLIED BIOSYSTEMS, LLC 2000-01-25 US disclosed
US-5149807-A Stability at certain wavelengths THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1992-09-22 US disclosed
US-4622400-A SULFONATION, ALKALI FUSION THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1986-11-11 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 (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-20200140404-A1 HETEROCYCLYL POLYMETHINE IR CHROMOPHORES SMARCE1, SMARCD1, WDR82 DRD1 674/4885DRD5 751/4885DRD2 962/4885
US-20130324573-A1 SUBSTITUTED 1, 2, 3, 4-TETRAHYDROQUINOLIN-7-YL CARBAMATES AS ACETYLCHOLINESTERASE INHIBITORS FOR TREATMENT OF ALZHEIMER'S DISEASE ACHE, BCHE, CHAT DRD1 874/4885DRD5 1719/4885DRD2 846/4885
US-20120088916-A1 OCTAHYDRO BIQUINOLINE COMPOUND CYP2S1, HCRTR2, CYP2B6 DRD1 406/4885DRD5 660/4885DRD2 225/4885
US-20070031336-A1 3H-phenoxazine derivatives suitable as near-infrared imaging agents, preparation an use thereof PSEN1, PSEN2, CHRM5 DRD1 749/4885DRD5 255/4885DRD2 981/4885

“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.