SCHEMBL74590

SCHEMBL74590

CC(C)(C)Cc1ccc(CN)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.58
LOXL2 Q9Y4K0 6/20 0.55
HRH3 Q9Y5N1 1/20 0.50
ABAT P80404 1/20 0.46
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
SLC6A2 P23975 2/20 0.43
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43
HRH1 P35367 1/20 0.43
HTR2B P41595 1/20 0.43
CHRNA4 P43681 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TAAR1 Q96RJ0 2/20 0.42
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
PSIP1 O75475 1/20 0.41
F10 P00742 1/20 0.39
F11 P03951 1/20 0.39

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
Heptane SCHEMBL9127820 0.87 HTR2A (0.47) ESR1LOXL2HRH3ABATTHRA
SCHEMBL6685103 0.86 ESR1 (0.74) ESR1THRATHRBSLC6A2HTR2A
SCHEMBL26673595 0.85 LOXL2 (0.50) ESR1LOXL2HRH3ABATSLC6A2
SCHEMBL3195964 0.81 PNMT (0.48) ESR1LOXL2SLC6A2TAAR1NOS3
SCHEMBL861221 0.81 ESR1 (0.61) ESR1LOXL2THRATHRBSLC6A2
SCHEMBL19580441 0.80 LOXL2 (0.50) ESR1LOXL2HRH3ABATSLC6A2
SCHEMBL19852857 0.80 TAAR1 (0.56) ESR1LOXL2SLC6A2HTR2ATAAR1
SCHEMBL20824957 0.78 LOXL2 (0.48) ESR1LOXL2HRH3ABATSLC6A2
SCHEMBL21264373 0.78 LOXL2 (0.48) ESR1LOXL2HRH3ABATSLC6A2
SCHEMBL21100336 0.78 ESR1 (0.64) ESR1HRH3THRATHRBSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238265-A1 ADAMANTANE AMIDES AND THIOAMIDES FOR THE TREATMENT OF EBOLAVIRUS INFECTION ARISAN THERAPEUTICS INC. (US) 2024-07-18 US disclosed
US-20240066135-A1 DRUG CONJUGATES AND USES THEREOF SUPERTRANS MEDICAL LTD (IL) 2024-02-29 US disclosed
US-20220002251-A1 HUMAN TLR8-SELECTIVE AGONISTS UNIVERSITY OF KANSAS (US) 2022-01-06 US disclosed
EP-3177611-B1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION AS (DK) 2021-10-06 EP disclosed
US-11130736-B2 Human TLR8-selective agonists UNIVERSITY OF KANSAS (US) 2021-09-28 US disclosed
US-10040751-B2 Intermediates for macrocyclic compounds OCERA THERAPEUTICS, INC. (US) 2018-08-07 US disclosed
US-10040751-B2 Intermediates for macrocyclic compounds OCERA THERAPEUTICS, INC. (US) 2018-08-07 US disclosed
US-9771345-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2017-09-26 US disclosed
CN-103732632-B Method for producing olefin block polymer using Group 4 transition metal complex 住友化学株式会社 2017-07-07 CN disclosed
US-9695260-B2 Method for producing olefin block polymer using plurality of types of transition metal catalysts SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-07-04 US disclosed
EP-1300425-A2 Catalyst component for addition polymerization, process for producing said catalyst and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-04-09 EP disclosed
US-20030060579-A1 Catalyst component for addition polymerization, process for producing catalyst for addition polymerization and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-27 US disclosed
US-20020143124-A1 Homogeneous type solid catalyst component or homogeneous type solid catalyst, process for production thereof and process for producing addition polymer with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-10-03 US disclosed
US-20010020075-A1 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-09-06 US disclosed
EP-1113026-A2 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-07-04 EP disclosed
US-5656634-A N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase (ACAT) PFIZER INC. (US) 1997-08-12 US disclosed
US-5362878-A Intermediates for making N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase (ACAT) PFIZER INC. (US) 1994-11-08 US disclosed
WO-1991004027-A1 NEW N-ARYL AND N-HETEROARYLAMIDE AND UREA DERIVATIVES AS INHIBITORS OF ACYL COENZYME A: CHOLESTEROL ACYL TRANSFERASE (ACAT) PFIZER INC. (US) 1991-04-04 WO disclosed
CN-1050183-A New N-aryl and N-heteroaryl amide and urea derivatives as acyl-coenzyme a cholesterol acyltransferase (ACAT) inhibitor PFIZER (US) 1991-03-27 CN disclosed
EP-0418071-A2 New N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase PFIZER INC. (US) 1991-03-20 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 (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-10040751-B2 Intermediates for macrocyclic compounds MLNR, CCKAR, CHRM2 ESR1 1929/4885LOXL2 4685/4885HRH3 316/4885
US-11130736-B2 Human TLR8-selective agonists TLR7, TLR8, TLR9 ESR1 237/4885LOXL2 2014/4885HRH3 254/4885
US-20240238265-A1 ADAMANTANE AMIDES AND THIOAMIDES FOR THE TREATMENT OF EBOLAVIRUS INFECTION IFNAR1, NR4A3, NR0B2 ESR1 908/4885LOXL2 4204/4885HRH3 774/4885
US-20220002251-A1 HUMAN TLR8-SELECTIVE AGONISTS TLR7, TLR8, TLR9 ESR1 237/4885LOXL2 2014/4885HRH3 254/4885
US-20240066135-A1 DRUG CONJUGATES AND USES THEREOF SLC7A1, ABCB11, SLC1A5 ESR1 2956/4885LOXL2 3259/4885HRH3 1165/4885

“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.