SCHEMBL3453584

SCHEMBL3453584

Ic1ccccc1C1CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.39
HSD17B10 Q99714 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
IDO1 P14902 3/20 0.34
PDPK1 O15530 1/20 0.34
ADRB2 P07550 1/20 0.34
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL30028865 1.00 HTR2C (0.39) HTR2CHSD17B10CHRNB4CHRNA3IDO1
SCHEMBL4050008 0.90 PTGDR2 (0.40) HTR2CHTR1A
SCHEMBL4087954 0.88 PTGDR2 (0.42) HTR2C
SCHEMBL15201663 0.84 OPRL1 (0.38) HTR2C
SCHEMBL31188475 0.84 OPRL1 (0.38) HTR2C
SCHEMBL11836887 0.84 HTR2C (0.60) HTR2CADRB2HTR1ASLC6A2SLC6A4
SCHEMBL20133796 0.82 ESR2 (0.35) HTR2CPDPK1
SCHEMBL6940509 0.80 CHRNB4 (0.50) HTR2CCHRNB4CHRNA3IDO1PDPK1
SCHEMBL3425103 0.80 CHRNB4 (0.50) HTR2CCHRNB4CHRNA3IDO1PDPK1
SCHEMBL7845321 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12552771-B2 Carboxylic acid containing azetidinyl compounds for the treatment of neurodegenerative diseases CELGENE CORPORATION (US) 2026-02-17 US disclosed
US-12435061-B2 Compounds and compositions for use in treating skin disorders KAMARI PHARMA LTD. (IL) 2025-10-07 US disclosed
US-20240376044-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2024-11-14 US disclosed
US-12071396-B2 Method for preparing aromatic amino acid derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-08-27 US disclosed
US-20240270714-A1 Carboxylic Acid Containing Azetidinyl Compounds for the Treatment of Neurodegenerative Diseases CELGENE CORPORATION (US) 2024-08-15 US disclosed
US-20240124413-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN TREATING SKIN DISORDERS KAMARI PHARMA LTD. (IL) 2024-04-18 US disclosed
US-11919879-B2 Carboxylic acid containing azetidinyl compounds for the treatment of neurodegenerative diseases CELGENE CORPORATION (US) 2024-03-05 US disclosed
CN-117500785-A Azetidinyl-containing carboxylic acid compounds for the treatment of neurodegenerative diseases 细胞基因公司 2024-02-02 CN disclosed
US-11807621-B2 Compounds and compositions for use in treating skin disorders KAMARI PHARMA LTD. (IL) 2023-11-07 US disclosed
US-11807621-B2 Compounds and compositions for use in treating skin disorders KAMARI PHARMA LTD. (IL) 2023-11-07 US disclosed
WO-2021154966-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN TREATING SKIN DISORDERS KAMARI PHARMA LTD. (IL) 2021-08-05 WO disclosed
WO-2020189540-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE 中外製薬株式会社 2020-09-24 WO disclosed
WO-2020189540-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE 中外製薬株式会社 2020-09-24 WO disclosed
CN-108774122-A A method of the chloroform that no transition metal participates in is the carbonyl compound of carbonyl source into two fragrant first ketone compounds 南京师范大学 2018-11-09 CN disclosed
WO-2018081285-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2018-05-03 WO disclosed
US-7820830-B2 Process for the production of carboxanilides SYNGENTA CROP PROTECTION, INC. (US) 2010-10-26 US disclosed
EP-1951677-B1 PROCESS FOR THE PRODUCTION OF CARBOXANILIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-09-02 EP disclosed
US-20080262242-A1 Process For the Production of Carboxanilides SYNGENTA CROP PROTECTION, INC. (US) 2008-10-23 US disclosed
EP-1951677-A1 PROCESS FOR THE PRODUCTION OF CARBOXANILIDES Syngeta Participations AG (CH) 2008-08-06 EP disclosed
WO-2007057140-A1 PROCESS FOR THE PRODUCTION OF CARBOXANILIDES SYNGENTA PARTICIPATIONS AG (CH) 2007-05-24 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 (9 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-12435061-B2 Compounds and compositions for use in treating skin disorders RDX, HAX1, F12 HTR2C 2869/4885HSD17B10 1121/4885CHRNB4 3527/4885
US-20240376044-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR HTR2C 2836/4885HSD17B10 1264/4885CHRNB4 4013/4885
US-20240270714-A1 Carboxylic Acid Containing Azetidinyl Compounds for the Treatment of Neurodegenerative Diseases S1PR5, LPAR5, S1PR2 HTR2C 1038/4885HSD17B10 2103/4885CHRNB4 724/4885
US-20240124413-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN TREATING SKIN DISORDERS RDX, HAX1, F12 HTR2C 2869/4885HSD17B10 1121/4885CHRNB4 3527/4885
US-20080262242-A1 Process For the Production of Carboxanilides FGFR2, FGFR4, CCKBR HTR2C 1605/4885HSD17B10 3010/4885CHRNB4 2686/4885
US-11919879-B2 Carboxylic acid containing azetidinyl compounds for the treatment of neurodegenerative diseases S1PR5, LPAR5, S1PR2 HTR2C 1038/4885HSD17B10 2103/4885CHRNB4 724/4885
US-12552771-B2 Carboxylic acid containing azetidinyl compounds for the treatment of neurodegenerative diseases S1PR5, CLN6, SNCA HTR2C 242/4885HSD17B10 1579/4885CHRNB4 423/4885
US-11807621-B2 Compounds and compositions for use in treating skin disorders RDX, HAX1, F12 HTR2C 2869/4885HSD17B10 1121/4885CHRNB4 3527/4885
US-12071396-B2 Method for preparing aromatic amino acid derivative DDC, AADAT, TYR HTR2C 2836/4885HSD17B10 1264/4885CHRNB4 4013/4885

“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.