SCHEMBL196980

SCHEMBL196980

CC(C)Cc1ccccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.53
SLC6A4 P31645 2/20 0.53
SLC6A3 Q01959 2/20 0.53
GABRA1 P14867 1/20 0.52
GABRB2 P47870 1/20 0.52
IDO1 P14902 3/20 0.50
PNMT P11086 1/20 0.50
LMNA P02545 1/20 0.50
AOC3 Q16853 1/20 0.48
TAAR1 Q96RJ0 3/20 0.47
ALOX5AP P20292 1/20 0.42
PKM P14618 1/20 0.42
PYCR1 P32322 1/20 0.41

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
SCHEMBL30435689 1.00 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3GABRA1GABRB2
Phosphine SCHEMBL25198379 0.98 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3GABRA1GABRB2
Propionaldehyde SCHEMBL29150865 0.87 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3GABRA1GABRB2
SCHEMBL6683031 0.84 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3IDO1PNMT
SCHEMBL13692527 0.82 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3IDO1PNMT
SCHEMBL5018770 0.82 PNMT (0.56) SLC6A2SLC6A4SLC6A3GABRA1GABRB2
SCHEMBL14520626 0.82 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3IDO1PNMT
SCHEMBL22420179 0.82 IDO1 (0.52) SLC6A2SLC6A4SLC6A3IDO1PNMT
SCHEMBL268275 0.82 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3IDO1PNMT
SCHEMBL24210547 0.82 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3IDO1PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117142942-A Full continuous flow preparation method of ibuprofen 复旦大学 2023-12-01 CN claimed
US-4186270-A CHLOROMETHYLATION, CONVERSION TO NITRILE, METHYLATION OR ETHYLATION, HYDROLYSIS THE DOW CHEMICAL COMPANY (US) 1980-01-29 US claimed
US-4140695-A Process for producing copper phthalocyanines IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1979-02-20 US claimed
US-20240217930-A1 SARS-COV-2 MPRO INHIBITOR COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2024-07-04 US disclosed
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
US-11858931-B2 Amino acid compounds with unbranched linkers and methods of use PLIANT THERAPEUTICS, INC. (US) 2024-01-02 US disclosed
CN-117142942-A Full continuous flow preparation method of ibuprofen 复旦大学 2023-12-01 CN disclosed
US-11826350-B2 Proline-based neuropeptide FF receptor modulators RESEARCH TRIANGLE INSTITUTE (US) 2023-11-28 US disclosed
US-11826350-B2 Proline-based neuropeptide FF receptor modulators RESEARCH TRIANGLE INSTITUTE (US) 2023-11-28 US disclosed
US-20230373950-A1 IKAROS ZINC FINGER FAMILY DEGRADERS AND USES THEREOF GILEAD SCIENCES, INC. 2023-11-23 US disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-0638075-B1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMA CO LTD (JP) 2002-01-16 EP disclosed
EP-1053990-A2 A method of producing an aromatic ketone and an aromatic ketone composition containing it TORAY INDUSTRIES, INC. (JP) 2000-11-22 EP disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed
US-5677322-A THERAPY FOR AGING, DIABETES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-10-14 US disclosed
EP-0638075-A1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-02-15 EP disclosed
WO-1994019335-A1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-01 WO disclosed
US-4501746-A HERBICIDES; PLANT GROWTH REGULATORS ELI LILLY AND COMPANY (US) 1985-02-26 US disclosed
US-4140695-A Process for producing copper phthalocyanines IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1979-02-20 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 (5 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-20240217930-A1 SARS-COV-2 MPRO INHIBITOR COMPOUNDS ACE2, SARS1, ACE SLC6A2 1394/4885SLC6A4 2166/4885SLC6A3 2051/4885
US-20230373950-A1 IKAROS ZINC FINGER FAMILY DEGRADERS AND USES THEREOF IKZF2, IKZF1, IKZF3 SLC6A2 4805/4885SLC6A4 4530/4885SLC6A3 4798/4885
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK SLC6A2 4418/4885SLC6A4 4345/4885SLC6A3 4272/4885
US-11826350-B2 Proline-based neuropeptide FF receptor modulators NPFFR1, NPFFR2, NPBWR1 SLC6A2 395/4885SLC6A4 268/4885SLC6A3 262/4885
US-11858931-B2 Amino acid compounds with unbranched linkers and methods of use ITGA2B, ITGB6, ITGB1 SLC6A2 1587/4885SLC6A4 2163/4885SLC6A3 2269/4885

“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.