SCHEMBL5141945

SCHEMBL5141945

O=C1Cc2ccc[c]c2CN1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.37
PDK2 Q15119 1/20 0.37
TDP2 O95551 2/20 0.35
CASP3 P42574 1/20 0.35
CASP7 P55210 1/20 0.35
CASP9 P55211 1/20 0.35
CASP6 P55212 1/20 0.35
CASP8 Q14790 1/20 0.35
MAP3K14 Q99558 1/20 0.35
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
CYP1A2 P05177 1/20 0.31
ALDH1A1 P00352 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
AKR1C1 Q04828 1/20 0.31
CMA1 P23946 1/20 0.30

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
SCHEMBL26613460 0.85 CA12 (0.37) AHRPDK2TDP2CASP3CASP7
SCHEMBL970504 0.73 AHR (0.48) AHRPDK2TDP2CASP3CASP7
SCHEMBL5420509 0.73
SCHEMBL89023 0.71 ALOX15 (0.56) AHRPDK2TDP2CASP3CASP7
SCHEMBL130192 0.70
SCHEMBL630416 0.69 CA12 (0.48) CA12CA9
SCHEMBL8811788 0.69 CYP2A6 (0.52) CYP1A2
SCHEMBL1828552 0.67
SCHEMBL319460 0.67 CYP1A2 (0.39) CYP1A2
SCHEMBL11198759 0.67 PDE3B (0.36) CA12CA9

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-20240116903-A1 TETRAHYDROQUINOLINE DERIVATIVE AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2024-04-11 US disclosed
WO-2023249105-A1 THERAPEUTIC AGENT OR PREVENTIVE AGENT FOR DRUG-INDUCED MYOCARDIAL DISORDERS 東レ株式会社 2023-12-28 WO disclosed
WO-2023249107-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR PERIPHERAL NERVE DISORDER 東レ株式会社 2023-12-28 WO disclosed
WO-2023249106-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR AMYOTROPHIC LATERAL SCLEROSIS 東レ株式会社 2023-12-28 WO disclosed
EP-4269392-A1 TETRAHYDROQUINOLINE DERIVATIVE AND MEDICINAL USE THEREOF Toray Industries, Inc. (JP) 2023-11-01 EP disclosed
CN-116648245-A Tetrahydroquinoline derivative and medical application thereof 东丽株式会社 2023-08-25 CN disclosed
US-20070149513-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2007-06-28 US disclosed
EP-1780211-A2 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-05-02 EP disclosed
EP-1775295-A1 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-04-18 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 (2 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-20240116903-A1 TETRAHYDROQUINOLINE DERIVATIVE AND MEDICINAL USE THEREOF AIFM2, TXNRD2, NFE2L2 AHR 2101/4885PDK2 574/4885TDP2 3600/4885
US-20070149513-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 AHR 313/4885PDK2 3088/4885TDP2 1578/4885

“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.