SCHEMBL453383

SCHEMBL453383

CSc1ccccc1CN

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.49
SLC6A4 P31645 5/20 0.49
SLC6A3 Q01959 4/20 0.49
CHRM2 P08172 1/20 0.48
PNMT P11086 2/20 0.44
DPP4 P27487 2/20 0.41
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.38
APOBEC3G Q9HC16 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.35

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 SCHEMBL6638579 0.98 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3CHRM2PNMT
SCHEMBL1570054 0.82 TAAR1 (0.54) SLC6A2SLC6A4SLC6A3CHRM2ALDH1A1
Hydrochloric Acid SCHEMBL14893290 0.80 TAAR1 (0.52) SLC6A2SLC6A4SLC6A3CHRM2ALDH1A1
Hydrochloric Acid SCHEMBL11154524 0.80 TAAR1 (0.52) SLC6A2SLC6A4SLC6A3CHRM2ALDH1A1
SCHEMBL8481321 0.78 CHRM2 (0.50) SLC6A2SLC6A4SLC6A3CHRM2ALDH1A1
SCHEMBL3842830 0.77 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3PNMTDPP4
SCHEMBL515497 0.76 CHRM2 (0.48) SLC6A2SLC6A4SLC6A3CHRM2ALDH1A1
SCHEMBL1146257 0.76 CHRM2 (0.48) SLC6A2SLC6A4SLC6A3CHRM2ALDH1A1
SCHEMBL2048982 0.76 CHRM2 (0.48) SLC6A2SLC6A4SLC6A3CHRM2ALDH1A1
SCHEMBL2169643 0.76 CHRM2 (0.48) SLC6A2SLC6A4SLC6A3CHRM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
EP-1610779-B1 3-OXO-1,3-DIHYDRO-INDAZOLE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS PHOSPHOLIPASE INHIBITORS LILLY CO ELI (US) 2009-09-09 EP claimed
EP-1326865-B1 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-05-06 EP claimed
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-2023212057-A1 COMPOSITIONS OF KINETIC NANOPARTICLES CONTAINING NUCLEIC ACIDS, POLYCATIONS AND LIPIDS THE JOHNS HOPKINS UNIVERSITY (US) 2023-11-02 WO disclosed
US-11566015-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2023-01-31 US disclosed
US-20220326230-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF FIRMENICH INCORPORATED (US) 2022-10-13 US disclosed
US-11268952-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof FIRMENICH INCORPORATED (US) 2022-03-08 US 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-20210238164-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2021-08-05 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
US-5798363-A Use for tachykinin antagonists to treat emesis GLAXO GROUP LIMITED (GB) 1998-08-25 US disclosed
US-5792760-A USEFUL IN TREATMENT OF PSYCHOLOGICAL AND CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1998-08-11 US disclosed
WO-1997038692-A1 BISINDOLES FOR TREATING PAIN OR NOCICEPTION ELI LILLY AND COMPANY (US) 1997-10-23 WO disclosed
US-5538982-A ANTIEMETICS GLAXO GROUP LIMITED (GB) 1996-07-23 US disclosed
US-5360820-A Medical use for tachykinin antagonists GLAXO GROUP LIMITED (GB) 1994-11-01 US disclosed
EP-0533280-A1 Novel medical use for tachykinin antagonists GLAXO GROUP LIMITED (GB) 1993-03-24 EP disclosed
US-4410532-A N-Substituted aziridine-2-carboxylic acid derivatives and their immuno-stimulation compositions and methods BOEHRINGER MANNHEIM GMBH (DE) 1983-10-18 US disclosed
US-4409236-A N-Substituted aziridine-2-carboxylic acid derivatives and immuno-stimulation composition and method BOEHRINGER MANNHEIM GMBH (DE) 1983-10-11 US disclosed
US-4321194-A N-Substituted aziridine-2-carboxylic acid derivatives for immuno stimulation BOEHRINGER MANNHEIM GMBH (DE) 1982-03-23 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 (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-11566015-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R SLC6A2 341/4885SLC6A4 612/4885SLC6A3 524/4885
US-12049461-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR4A1 SLC6A2 1606/4885SLC6A4 718/4885SLC6A3 651/4885
US-20210238164-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R SLC6A2 341/4885SLC6A4 612/4885SLC6A3 524/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 SLC6A2 1606/4885SLC6A4 718/4885SLC6A3 651/4885
US-20220326230-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 SLC6A2 1433/4885SLC6A4 407/4885SLC6A3 734/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 SLC6A2 1682/4885SLC6A4 949/4885SLC6A3 688/4885
US-11268952-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof TAS2R40, TAS1R2, TAS1R1 SLC6A2 1426/4885SLC6A4 366/4885SLC6A3 756/4885

“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.