SCHEMBL112138

SCHEMBL112138

NCc1ccc(-c2ccco2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 8/20 1.00
HRH3 Q9Y5N1 1/20 0.52
HTR2C P28335 1/20 0.50
PRMT6 Q96LA8 1/20 0.46
ADRB2 P07550 1/20 0.44
LPL P06858 1/20 0.43
LIPG Q9Y5X9 1/20 0.43
PTGES2 Q9H7Z7 1/20 0.43
LTA4H P09960 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
KEAP1 Q14145 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CYP2A6 P11509 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
SCHEMBL109478 0.82 TAAR1 (0.70) TAAR1HTR2CPRMT6ADORA2AADORA1
SCHEMBL394300 0.82 TAAR1 (0.76) TAAR1HTR2CLPLLIPGADORA2A
Hydrochloric Acid SCHEMBL1014846 0.81 TAAR1 (0.68) TAAR1HTR2CPRMT6ADORA2AADORA1
SCHEMBL30487922 0.79 TAAR1 (0.73) TAAR1HTR2CLPLLIPGADORA2A
SCHEMBL244155 0.79
SCHEMBL120565 0.79 TAAR1 (0.66) TAAR1HTR2CPRMT6LPLLIPG
SCHEMBL2759898 0.79 TAAR1 (0.66) TAAR1HTR2CPRMT6LPLLIPG
SCHEMBL28267839 0.78 TAAR1 (0.63) TAAR1HTR2CPRMT6LPLLIPG
SCHEMBL28323221 0.77 TAAR1 (0.62) TAAR1HTR2CPRMT6LPLLIPG
SCHEMBL28154500 0.76 TAAR1 (0.61) TAAR1HTR2CPRMT6LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4618974-A1 OREXIN RECEPTOR AGONISTS Merck Sharp & Dohme LLC (US) 2025-09-24 EP disclosed
US-20250282760-A1 OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2025-09-11 US disclosed
EP-4518853-A1 OREXIN RECEPTOR AGONISTS Merck Sharp & Dohme LLC (US) 2025-03-12 EP disclosed
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2024-07-30 US disclosed
WO-2024107615-A1 OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2024-05-23 WO disclosed
WO-2023215205-A1 OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2023-11-09 WO disclosed
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2021-09-09 US disclosed
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2021-01-05 US disclosed
EP-3325480-B1 5-SUBSTITUTED-7-[4-(SUBSTITUTED) BENZYL]AMINO-3-ISOPROPYLPYRAZOLO (4,3-D) PYRIMIDINES AS MEDICAMENTS USTAV EXPERIMENTALNI BOTANIKY AV CR V V I (CZ) 2020-04-22 EP disclosed
EP-3325480-A1 5-SUBSTITUTED-7-[4-(SUBSTITUTED)BENZYL]AMINO-3-ISOPROPYLPYRAZOLO(4,3-D)PYRIMIDINES AS MEDICAMENTS Ustav Experimentalni Botaniky Av CR, V.V.I. (CZ) 2018-05-30 EP disclosed
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
EP-2094677-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV Remynd (BE) 2009-09-02 EP disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US disclosed
WO-2008061781-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2008-05-29 WO disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
WO-2008009077-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed
WO-2008009078-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed
WO-2008003149-A2 SUBSTITUTED PTERIDINES FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES , INC. (US) 2008-01-10 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 (7 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-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR4A1 TAAR1 319/4885HRH3 168/4885HTR2C 434/4885
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 TAAR1 2880/4885HRH3 957/4885HTR2C 638/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 TAAR1 319/4885HRH3 168/4885HTR2C 434/4885
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS PNPO, PNP, DPYD TAAR1 1534/4885HRH3 1351/4885HTR2C 326/4885
US-20250282760-A1 OREXIN RECEPTOR AGONISTS HCRTR2, HCRTR1, OXTR TAAR1 40/4885HRH3 82/4885HTR2C 83/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 TAAR1 336/4885HRH3 123/4885HTR2C 513/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 TAAR1 2880/4885HRH3 957/4885HTR2C 638/4885

“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.