SCHEMBL20002966

SCHEMBL20002966

COc1ccc(CC(C)S)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.64
IDO1 P14902 3/20 0.56
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
LDHA P00338 1/20 0.55
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
MMP1 P03956 1/20 0.47
MMP13 P45452 1/20 0.47
AGXT P21549 2/20 0.47
LTA4H P09960 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL20715706 0.82 SAE1 (0.68) TP53TSHRSMN1; SMN2
SCHEMBL16383175 0.82 SLC6A4 (0.69) SLC6A4IDO1CYP1A2CYP2D6CYP2C19
SCHEMBL104850 0.82 SLC6A4 (0.69) SLC6A4IDO1CYP1A2CYP2D6CYP2C19
SCHEMBL14044082 0.81 SLC6A4 (0.68) SLC6A4IDO1CYP1A2CYP2D6CYP2C19
Ammonia Solution, Strong SCHEMBL8170665 0.80 SLC6A4 (0.67) SLC6A4IDO1CYP1A2CYP2D6CYP2C19
SCHEMBL24324835 0.79 PKM (0.62) TAAR1ALDH1A1TSHRALOX12SMN1; SMN2
SCHEMBL2666118 0.78 SLC6A4 (0.64) SLC6A4IDO1CYP1A2CYP2D6CYP2C19
Para-Methoxyamphetamine SCHEMBL264634 0.78 SLC6A4 (1.00) SLC6A4CYP1A2CYP2D6CYP2C19TAAR1
SCHEMBL24630912 0.78 SLC6A4 (0.64) SLC6A4IDO1CYP1A2CYP2D6CYP2C19
SCHEMBL721008 0.78 SLC6A4 (0.64) SLC6A4IDO1CYP1A2CYP2D6CYP2C19

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2023-04-27 US disclosed
WO-2020251953-A1 STREPTOGRAMIN COMPOSITIONS AND THE USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-12-17 WO disclosed
US-10669269-B2 Substituted N-(1H-indazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide compounds as type III receptor tyrosine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2020-06-02 US disclosed
US-10647744-B2 Tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2020-05-12 US disclosed
US-10391070-B2 Compositions and methods for treating neurological diseases or injury MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2019-08-27 US disclosed
US-20190119265-A1 THIAZOLIDINONE COMPOUNDS AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL DISORDERS AND INFLAMMATION, IN PARTICULAR NEUROINFLAMMATION UNIVERSITAT BERN (CH) 2019-04-25 US disclosed
US-20180185306-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROLOGICAL DISEASES OR INJURY MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2018-07-05 US disclosed
US-20180086758-A1 SUBSTITUTED N-(lH-INDAZOL-4-YL)IMIDAZO[l,2-a]PYRIDINE-3-CARBOXAMIDE COMPOUNDS AS TYPE III RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2018-03-29 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 (8 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-10669269-B2 Substituted N-(1H-indazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide compounds as type III receptor tyrosine kinase inhibitors MUSK, FGFR1, PDGFRA SLC6A4 3589/4885IDO1 1443/4885CYP1A2 1836/4885
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK SLC6A4 4345/4885IDO1 980/4885CYP1A2 3871/4885
US-20180086758-A1 SUBSTITUTED N-(lH-INDAZOL-4-YL)IMIDAZO[l,2-a]PYRIDINE-3-CARBOXAMIDE COMPOUNDS AS TYPE III RECEPTOR TYROSINE KINASE INHIBITORS LTK, MUSK, FGFR1 SLC6A4 3853/4885IDO1 1824/4885CYP1A2 2366/4885
US-20190119265-A1 THIAZOLIDINONE COMPOUNDS AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL DISORDERS AND INFLAMMATION, IN PARTICULAR NEUROINFLAMMATION GRIN2B, IL1B, GRIA4 SLC6A4 339/4885IDO1 513/4885CYP1A2 118/4885
US-10391070-B2 Compositions and methods for treating neurological diseases or injury PROC, GLS, NLN SLC6A4 2960/4885IDO1 3835/4885CYP1A2 962/4885
US-10647744-B2 Tripeptide epoxy ketone protease inhibitors PREP, CTRL, ENPEP SLC6A4 4697/4885IDO1 2001/4885CYP1A2 1156/4885
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK SLC6A4 4345/4885IDO1 980/4885CYP1A2 3871/4885
US-20180185306-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROLOGICAL DISEASES OR INJURY PROC, GLS, NLN SLC6A4 2960/4885IDO1 3835/4885CYP1A2 962/4885

“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.