SCHEMBL1206404

SCHEMBL1206404

NCC(O)c1ccccc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 3/20 0.50
ADRA1A P35348 3/20 0.50
ADRB2 P07550 2/20 0.50
ADRA2A P08913 2/20 0.50
ADRA2B P18089 2/20 0.50
CYP3A4 P08684 2/20 0.50
HSD17B10 Q99714 1/20 0.50
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
APEX1 P27695 1/20 0.48
RAD52 P43351 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ADRA1B P35368 2/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46

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
SCHEMBL30288482 1.00 ADRA2C (0.50) ADRA2CADRA1AADRB2ADRA2AADRA2B
SCHEMBL7150641 1.00 ADRA2C (0.50) ADRA2CADRA1AADRB2ADRA2AADRA2B
Hydrochloric Acid SCHEMBL2323838 0.98 KDM4E (0.52) ADRA2CADRA1AADRB2ADRA2AADRA2B
SCHEMBL16371920 0.87 CES2 (0.43) ADRA2CADRA1AADRB2ADRA2AADRA2B
SCHEMBL1444988 0.83 IDO1 (0.48) ADRA2CADRA1AADRB2ADRA2AADRA2B
SCHEMBL7153251 0.83 ADRA2C (0.53) ADRA2CADRA1AADRB2ADRA2AADRA2B
SCHEMBL25159719 0.82 CES2 (0.46) CYP3A4CES2CES1IDO1TDO2
SCHEMBL15078367 0.82 CES2 (0.46) CYP3A4CES2CES1IDO1TDO2
SCHEMBL23489941 0.82 CES2 (0.46) CYP3A4CES2CES1IDO1TDO2
SCHEMBL17660053 0.82 CES2 (0.46) CYP3A4CES2CES1IDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112625776-A Graphene compound for lubricating oil additive and preparation method and application thereof 中国石油化工股份有限公司 2021-04-09 CN claimed
US-20240124408-A1 Substituted Cyclohexanecarboxamides, Their Preparation and Their Therapeutic Application SANOFI (FR) 2024-04-18 US disclosed
CN-110105346-B Optionally substituted quinoline compounds 卫材R&D管理有限公司 2023-03-10 CN disclosed
CN-112625776-B Graphene compound for lubricating oil additive and preparation method and application thereof 中国石油化工股份有限公司 2022-07-19 CN disclosed
EP-3995495-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2022-05-11 EP disclosed
CN-112625776-A Graphene compound for lubricating oil additive and preparation method and application thereof 中国石油化工股份有限公司 2021-04-09 CN disclosed
EP-3626717-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2020-03-25 EP disclosed
CN-110105346-A Optionally substituted quinoline compounds 卫材R&D管理有限公司 2019-08-09 CN disclosed
CN-106414432-B Optionally substituted quinoline compounds 卫材R&D管理有限公司 2019-06-14 CN disclosed
US-RE47193-E1 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-01-08 US disclosed
US-4338333-A ANTIOBESITY, HYPOGLYCEMIC BEECHAM GROUP LIMITED (GB) 1982-07-06 US disclosed
EP-0052963-A1 Secondary amines BEECHAM GROUP PLC (GB) 1982-06-02 EP disclosed
US-4309443-A ANTI-OBESITY, HYPOGLYCEMIC BEECHAM GROUP LIMITED (GB) 1982-01-05 US disclosed
EP-0040000-A1 Arylethanolamine derivatives, their preparation and use in pharmaceutical compositions BEECHAM GROUP PLC (GB) 1981-11-18 EP disclosed
EP-0025331-A1 Cinnamic acid derivatives, their preparation, and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1981-03-18 EP disclosed
EP-0023385-A1 Ethanamine derivatives, their preparation and use in pharmaceutical compositions BEECHAM GROUP PLC (GB) 1981-02-04 EP disclosed
EP-0021636-A1 Secondary amines, their preparation and use in pharmaceutical compositions BEECHAM GROUP PLC (GB) 1981-01-07 EP disclosed
US-4224224-A Certain 1-(carbocyclic aryl)-1-halo(or mesyloxy or tosyloxy)-2-(3'-alkoxycarbonylguanidino) ethanes SYNTEX (U.S.A.) INC. (US) 1980-09-23 US disclosed
US-4172204-A Method for preparing 4,5-dihydro-2-alkoxycarbonylamino-5-carbocyclic aryl imidazoles and intermediates thereof SYNTEX (U.S.A.) INC. (US) 1979-10-23 US disclosed
EP-0001500-A1 1-Carbocyclic aryl-2-mono or -bis(alkoxycarbonyl) guanidino ethanes, and methods for their preparation and the preparation therefrom of 4,5-dihydro-2-alkoxycarbonylamino-5-carbocyclic aryl imidazoles SYNTEX (U.S.A.) INC. (US) 1979-04-18 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 (1 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-20240124408-A1 Substituted Cyclohexanecarboxamides, Their Preparation and Their Therapeutic Application TRPM8, TAS2R8, TRPM7 ADRA2C 465/4885ADRA1A 453/4885ADRB2 577/4885

“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.