SCHEMBL1806246

SCHEMBL1806246

COc1ccccc1CC[NH]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.64
CHRM2 P08172 2/20 0.57
CHRM1 P11229 2/20 0.57
SIGMAR1 Q99720 1/20 0.56
AOC3 Q16853 1/20 0.56
KCNH2 Q12809 1/20 0.55
IDO1 P14902 2/20 0.53
HRH3 Q9Y5N1 1/20 0.53
ABCB1 P08183 1/20 0.51
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
CA5A P35218 1/20 0.50

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
SCHEMBL5610389 0.88 TAAR1 (0.60) TAAR1CHRM2CHRM1SIGMAR1AOC3
SCHEMBL28858018 0.86 TAAR1 (0.75) TAAR1CHRM2CHRM1SIGMAR1AOC3
SCHEMBL5610296 0.86 TAAR1 (0.58) TAAR1CHRM2CHRM1SIGMAR1AOC3
SCHEMBL43208 0.82 IDO1 (0.61) TAAR1CHRM2CHRM1SIGMAR1AOC3
SCHEMBL7831226 0.82 TAAR1 (0.69) TAAR1CHRM2CHRM1SIGMAR1AOC3
SCHEMBL6856486 0.82 CA12 (0.54) TAAR1ABCB1CA12CA1CA2
SCHEMBL29467401 0.80 TAAR1 (0.67) TAAR1CHRM2CHRM1SIGMAR1AOC3
SCHEMBL158584 0.80 TAAR1 (0.67) TAAR1CHRM2CHRM1SIGMAR1AOC3
SCHEMBL7592276 0.79 L3MBTL1 (0.56) TAAR1ABCB1ALDH1A1GAAMAPT
SCHEMBL11407644 0.79 L3MBTL1 (0.47) TAAR1ABCB1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199542-A1 SUBSTITUTED PYRROLIDIN-2-ONES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2024-06-20 US claimed
EP-4313943-A1 SUBSTITUTED PYRROLIDIN-2-ONES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2024-02-07 EP claimed
WO-2022200208-A1 SUBSTITUTED PYRROLIDIN-2-ONES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2022-09-29 WO claimed
EP-1144384-B1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARM INC (US) 2007-10-31 EP claimed
US-20020058788-A1 Facile deprotection of Fmoc protected amino groups DISCOVERY PARTNERS INTERNATIONAL, INC. 2002-05-16 US claimed
EP-0808303-B1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ASTRAZENECA AB (SE) 2001-06-20 EP claimed
EP-1076649-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 2001-02-21 EP claimed
WO-2001002355-A2 INDOLE SYNTHESIS AXYS PHARMACEUTICALS, INC. (US) 2001-01-11 WO claimed
US-6127381-A A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY LION BIOSCIENCE AG (DE) 2000-10-03 US claimed
WO-1999055679-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 1999-11-04 WO claimed
EP-0054132-B1 PYRIMIDONES, THEIR PREPARATION AND MEDICINES CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1984-10-10 EP claimed
US-4379788-A HYPOTENSIVES, ANTIARRHYTHMIA, B-BLOCKERS DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-04-12 US claimed
EP-0054132-A1 Pyrimidones, their preparation and medicines containing them Dr. Karl Thomae GmbH (DE) 1982-06-23 EP claimed
US-20240199542-A1 SUBSTITUTED PYRROLIDIN-2-ONES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2024-06-20 US disclosed
EP-4313943-A1 SUBSTITUTED PYRROLIDIN-2-ONES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2024-02-07 EP disclosed
WO-2022268520-A1 USE OF SUBSTITUTED PYRROLIDINONES OR THEIR SALTS FOR INCREASING STRESS TOLERANCE OF PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-12-29 WO disclosed
WO-1996004274-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1996-02-15 WO disclosed
EP-0054132-B1 PYRIMIDONES, THEIR PREPARATION AND MEDICINES CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1984-10-10 EP disclosed
US-4379788-A HYPOTENSIVES, ANTIARRHYTHMIA, B-BLOCKERS DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-04-12 US disclosed
EP-0054132-A1 Pyrimidones, their preparation and medicines containing them Dr. Karl Thomae GmbH (DE) 1982-06-23 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 (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-20020058788-A1 Facile deprotection of Fmoc protected amino groups DNPEP, LNPEP, NPEPPS TAAR1 1082/4885CHRM2 4637/4885CHRM1 4535/4885
US-20240199542-A1 SUBSTITUTED PYRROLIDIN-2-ONES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES HPD, DDT, PPOX TAAR1 3744/4885CHRM2 2935/4885CHRM1 3658/4885

“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.