SCHEMBL436099

SCHEMBL436099

CC(C)CCc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.52
TAAR1 Q96RJ0 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KCNH2 Q12809 2/20 0.47
TMEM97 Q5BJF2 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAOB P27338 1/20 0.43
GAA P10253 1/20 0.43
SLC6A4 P31645 2/20 0.43
DPP4 P27487 1/20 0.43
IDO1 P14902 1/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
MIF P14174 1/20 0.41
ALDH1A1 P00352 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
Ammonia Solution, Strong SCHEMBL10725614 0.98 AOC3 (0.50) AOC3TAAR1SLC6A2SLC6A3KCNH2
Hydrochloric Acid SCHEMBL27666375 0.98 AOC3 (0.50) AOC3TAAR1SLC6A2SLC6A3KCNH2
SCHEMBL8080450 0.87 HTT (0.41) AOC3
Acetamide SCHEMBL10727243 0.87 DPP4 (0.52) AOC3TAAR1SLC6A2SLC6A3KMT2A
SCHEMBL9146183 0.86 AOC3 (0.48) AOC3TAAR1SLC6A2SLC6A3KCNH2
SCHEMBL12968209 0.85 IGF1R (0.48) AOC3TAAR1SLC6A2SLC6A3KCNH2
SCHEMBL7864094 0.83 KCNH2 (0.49) AOC3TAAR1SLC6A2SLC6A3KCNH2
SCHEMBL21175025 0.82 TAAR1 (0.47) AOC3TAAR1SLC6A2SLC6A3KCNH2
SCHEMBL264969 0.82 SLC6A2 (0.63) AOC3TAAR1SLC6A2SLC6A3KCNH2
SCHEMBL10585881 0.82 TAAR1 (0.47) AOC3TAAR1SLC6A2SLC6A3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024105159-A1 LIGANDS OF THE M6A-RNA READERS UNIVERSITY OF ZURICH (CH) 2024-05-23 WO disclosed
US-20230365568-A1 PLK1 POLO BOX DOMAIN INHIBITORS AND METHOD OF TREATING CANCER THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-11-16 US disclosed
US-11744810-B2 Methods of treating or preventing an attention disorder, cognitive disorder, and/or dementia associated with a neurodegenerative disorder DREXEL UNIVERSITY (US) 2023-09-05 US disclosed
US-11744825-B2 Methods of treating hypersensitive cough or itching using ion channel inhibitory compounds AFASCI, INC. (US) 2023-09-05 US disclosed
US-11744825-B2 Methods of treating hypersensitive cough or itching using ion channel inhibitory compounds AFASCI, INC. (US) 2023-09-05 US disclosed
WO-2023147571-A2 SELECTIVE AGENTS TARGETING MYCOBACTERIUM TUBERCULOSIS UNIVERSITY OF MISSISSIPPI (US) 2023-08-03 WO disclosed
US-11701345-B2 Car activator agents for cyclophosphamide-based treatments of cancer UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-07-18 US disclosed
US-11701345-B2 Car activator agents for cyclophosphamide-based treatments of cancer UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-07-18 US disclosed
WO-2023122594-A1 BICYCLIC INDAZOLE GLUCOCORTICOID RECEPTOR ANTAGONISTS CORCEPT THERAPEUTICS INCORPORATED (US) 2023-06-29 WO disclosed
US-11547712-B2 Kinase inhibitor compounds and compositions and methods of use ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-01-10 US disclosed
US-7550458-B2 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
US-20080176815-A1 Compounds that interact with kinases ALCHEMIA LIMITED (AU) 2008-07-24 US disclosed
US-7378413-B2 2-amino-3-(alkyl)-pyrimidone derivatives SANOFI AVENTIS (FR) 2008-05-27 US disclosed
WO-2007131366-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS INC. (CA) 2007-11-22 WO disclosed
US-7291623-B2 Compounds that interact with kinases ALCHEMIA LIMITED (AU) 2007-11-06 US disclosed
US-20070088029-A1 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2007-04-19 US disclosed
US-20070088029-A1 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2007-04-19 US disclosed
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US 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

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-11744825-B2 Methods of treating hypersensitive cough or itching using ion channel inhibitory compounds TRPV1, TRPA1, TRPV2 AOC3 1642/4885TAAR1 436/4885SLC6A2 374/4885
US-11701345-B2 Car activator agents for cyclophosphamide-based treatments of cancer CYP2A6, CYP2B6, CYP4A11 AOC3 1553/4885TAAR1 1473/4885SLC6A2 4472/4885
US-11547712-B2 Kinase inhibitor compounds and compositions and methods of use MAP3K20, MAP3K1, PACSIN2 AOC3 3507/4885TAAR1 2004/4885SLC6A2 2592/4885
US-20080176815-A1 Compounds that interact with kinases MAP3K6, MAP3K20, MAP4K2 AOC3 4819/4885TAAR1 4462/4885SLC6A2 4686/4885
US-20070088029-A1 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function VDR, ESRRB, NR5A1 AOC3 4344/4885TAAR1 1985/4885SLC6A2 4816/4885
US-20230365568-A1 PLK1 POLO BOX DOMAIN INHIBITORS AND METHOD OF TREATING CANCER PLK1, PLK4, BUB1B AOC3 3213/4885TAAR1 4724/4885SLC6A2 4399/4885
US-11744810-B2 Methods of treating or preventing an attention disorder, cognitive disorder, and/or dementia associated with a neurodegenerative disorder CHAT, COMT, SLC6A2 AOC3 411/4885TAAR1 590/4885SLC6A2 3/4885

“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.