SCHEMBL716596

SCHEMBL716596

NCC1COc2ccccc2C1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.52
HTR1A P08908 1/20 0.50
OPRM1 P35372 1/20 0.47
OPRL1 P41146 1/20 0.47
KCNH2 Q12809 1/20 0.47
HDAC1 Q13547 1/20 0.45
AOC2 O75106 5/20 0.43
MAOA P21397 5/20 0.43
MAOB P27338 5/20 0.43
DAO P14920 1/20 0.43
CA2 P00918 1/20 0.42
NISCH Q9Y2I1 1/20 0.42
ACLY P53396 1/20 0.41
MALT1 Q9UDY8 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
Hydrochloric Acid SCHEMBL31621993 0.98 SIGMAR1 (0.51) SIGMAR1HTR1AOPRM1OPRL1KCNH2
Hydrochloric Acid SCHEMBL9692517 0.98 SIGMAR1 (0.51) SIGMAR1HTR1AOPRM1OPRL1KCNH2
SCHEMBL9692392 0.86 SIGMAR1 (0.50) SIGMAR1HTR1AOPRM1OPRL1KCNH2
Hydrochloric Acid SCHEMBL9692445 0.84 SIGMAR1 (0.49) SIGMAR1HTR1AOPRM1OPRL1KCNH2
SCHEMBL441013 0.82 CA2 (0.53) HTR1ACA2NISCH
SCHEMBL13572976 0.81 SIGMAR1 (0.52) SIGMAR1HTR1AOPRM1OPRL1KCNH2
SCHEMBL8354157 0.81 SIGMAR1 (0.52) SIGMAR1HTR1AOPRM1OPRL1KCNH2
SCHEMBL13572973 0.81 SIGMAR1 (0.52) SIGMAR1HTR1AOPRM1OPRL1KCNH2
SCHEMBL20864244 0.81 SIGMAR1 (0.56) SIGMAR1HTR1AOPRM1OPRL1KCNH2
SCHEMBL2247241 0.81 SIGMAR1 (0.52) SIGMAR1HTR1AOPRM1OPRL1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240009169-A9 PPARG Modulators for the Treatment of Osteoporosis UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2024-01-11 US disclosed
US-20230072933-A1 PPARG Modulators for the Treatment of Osteoporosis SCRIPPS RESEARCH INST (US) 2023-03-09 US disclosed
US-11173144-B2 Adrenergic receptor modulating compounds and methods of using the same THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2021-11-16 US disclosed
US-10744117-B2 PPARG modulators for the treatment of osteoporosis THE SCRIPPS RESEARCH INSTITUTE (US) 2020-08-18 US disclosed
US-20200237724-A1 ADRENERGIC RECEPTOR MODULATING COMPOUNDS AND METHODS OF USING THE SAME THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2020-07-30 US disclosed
US-20180369196-A1 PPARG Modulators for the Treatment of Osteoporosis UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2018-12-27 US disclosed
US-10016394-B2 PPARG modulators for treatment of osteoporosis THE SCRIPPS RESEARCH INSTITUTE (US) 2018-07-10 US disclosed
WO-2017197324-A1 ADRENERGIC RECEPTOR MODULATING COMPOUNDS AND METHODS OF USING THE SAME THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2017-11-16 WO disclosed
US-20170035730-A1 PPARG MODULATORS FOR TREATMENT OF OSTEOPOROSIS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2017-02-09 US disclosed
WO-2015161108-A1 PPARG MODULATORS FOR TREATMENT OF OSTEOPOROSIS THE SCRIPPS RESEARCH INSTITUTE (US) 2015-10-22 WO disclosed
CN-1024667-C process for preparing substituted aminomethyl tetralins and substituted aminomethyl hydrogenated benzopyrans and their salts BAYER AG (DE) 1994-05-25 CN disclosed
EP-0352613-B1 Substituted amino methyl tetralines, and their heterocyclic analogous compounds BAYER AG (DE) 1994-04-20 EP disclosed
US-5300523-A Binding serotonin receptors, treating nervous system disorders BAYER AKTIENGESELLSCHAFT (DE) 1994-04-05 US disclosed
US-5137901-A For binding 5-HT 1 receptors; treating central nervous system disorders BAYER AKTIENGESELLSCHAFT (DE) 1992-08-11 US disclosed
US-5112855-A Nootropic Agents CIBA-GEIGY CORPORATION (US) 1992-05-12 US disclosed
EP-0252005-B1 HYDROGENATED 1-BENZOOXACYCLOALKYL-PYRIDINE CARBOXYLIC-ACID COMPOUNDS CIBA-GEIGY AG (CH) 1991-07-10 EP disclosed
US-4957928-A NOOTROPIC AGENTS, COGNITION ACTIVATORS CIBA-GEIGY CORPORATION (US) 1990-09-18 US disclosed
CN-1039809-A The aminomethyl tetraline that replaces and the preparation of heterocycle homologue thereof BAYER AG (DE) 1990-02-21 CN disclosed
EP-0352613-A2 Substituted amino methyl tetralines, and their heterocyclic analogous compounds BAYER AG (DE) 1990-01-31 EP disclosed
EP-0252005-A1 Hydrogenated 1-benzooxacycloalkyl-pyridine carboxylic-acid compounds CIBA-GEIGY AG (CH) 1988-01-07 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 (8 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-20200237724-A1 ADRENERGIC RECEPTOR MODULATING COMPOUNDS AND METHODS OF USING THE SAME ADRB1, ADRB2, ADRA1B SIGMAR1 171/4885HTR1A 115/4885OPRM1 125/4885
US-20170035730-A1 PPARG MODULATORS FOR TREATMENT OF OSTEOPOROSIS PPARG, PPARA, PPARD SIGMAR1 3856/4885HTR1A 2199/4885OPRM1 2291/4885
US-10016394-B2 PPARG modulators for treatment of osteoporosis PPARG, PPARA, PPARD SIGMAR1 3856/4885HTR1A 2199/4885OPRM1 2291/4885
US-11173144-B2 Adrenergic receptor modulating compounds and methods of using the same ADRB1, ADRB2, ADRA1B SIGMAR1 171/4885HTR1A 115/4885OPRM1 125/4885
US-20230072933-A1 PPARG Modulators for the Treatment of Osteoporosis PPARG, PPARA, PPARD SIGMAR1 3817/4885HTR1A 2252/4885OPRM1 2286/4885
US-20180369196-A1 PPARG Modulators for the Treatment of Osteoporosis PPARG, PPARA, PPARD SIGMAR1 3817/4885HTR1A 2252/4885OPRM1 2286/4885
US-10744117-B2 PPARG modulators for the treatment of osteoporosis PPARG, PPARA, PPARD SIGMAR1 3817/4885HTR1A 2252/4885OPRM1 2286/4885
US-20240009169-A9 PPARG Modulators for the Treatment of Osteoporosis PPARG, PPARA, PPARD SIGMAR1 3817/4885HTR1A 2252/4885OPRM1 2286/4885

“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.