SCHEMBL26613438

SCHEMBL26613438

CC(C)(O)c1ccc(C2CCc3ccccc3N2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.48
▸ ESR2 Q92731 1/20 0.48
▸ MTNR1A P48039 3/20 0.39
▸ PARP1 P09874 1/20 0.37
▸ PARP2 Q9UGN5 1/20 0.37
▸ SMYD3 Q9H7B4 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ IDH1 O75874 1/20 0.35
▸ TNKS O95271 1/20 0.35
▸ TNKS2 Q9H2K2 1/20 0.35
▸ PARP3 Q9Y6F1 1/20 0.35
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MAPK13 O15264 1/20 0.33
▸ MAPK12 P53778 1/20 0.33
▸ MAPK11 Q15759 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
SCHEMBL29745954 1.00 ESR1 (0.48) ESR1ESR2MTNR1APARP1PARP2
SCHEMBL29746091 0.83 ESR1 (0.52) ESR1ESR2IDH1SIRT2OPRD1
SCHEMBL29746286 0.82 PARP1 (0.53) ESR1ESR2PARP1PARP2GAA
SCHEMBL28470501 0.80 ESR1 (0.50) ESR1ESR2MTNR1ASMYD3TNKS2
SCHEMBL13784817 0.80 ESR1 (0.51) ESR1ESR2MTNR1ASMYD3GAA
SCHEMBL30124970 0.80 ESR1 (0.51) ESR1ESR2MTNR1ASMYD3GAA
SCHEMBL13306192 0.80 ESR1 (0.51) ESR1ESR2MTNR1ASMYD3GAA
SCHEMBL5051433 0.80 ESR1 (0.51) ESR1ESR2MTNR1ASMYD3GAA
Hydrochloric Acid SCHEMBL30542604 0.78 ESR1 (0.50) ESR1ESR2MTNR1ASMYD3GAA
SCHEMBL5638183 0.77 ESR1 (0.50) ESR1ESR2MTNR1ASMYD3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12570639-B2 Tetrahydroquinoline derivative and medicinal use thereof TORAY INDUSTRIES, INC. (JP) 2026-03-10 — — US claimed
US-20240116903-A1 TETRAHYDROQUINOLINE DERIVATIVE AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2024-04-11 — — US claimed
EP-4269392-A1 TETRAHYDROQUINOLINE DERIVATIVE AND MEDICINAL USE THEREOF Toray Industries, Inc. (JP) 2023-11-01 — — EP claimed
CN-116648245-A Tetrahydroquinoline derivative and medical application thereof 东丽株式会社 2023-08-25 — — CN claimed
US-20260083723-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR AMYOTROPHIC LATERAL SCLEROSIS TORAY INDUSTRIES, INC. (JP) 2026-03-26 — — US disclosed
US-12570639-B2 Tetrahydroquinoline derivative and medicinal use thereof TORAY INDUSTRIES, INC. (JP) 2026-03-10 — — US disclosed
EP-4545079-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR AMYOTROPHIC LATERAL SCLEROSIS Toray Industries, Inc. (JP) 2025-04-30 — — EP disclosed
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-2023249106-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR AMYOTROPHIC LATERAL SCLEROSIS 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
EP-4269392-A1 TETRAHYDROQUINOLINE DERIVATIVE AND MEDICINAL USE THEREOF Toray Industries, Inc. (JP) 2023-11-01 — — EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 ESR1 3731/4885ESR2 1215/4885MTNR1A 1663/4885
US-20260083723-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR AMYOTROPHIC LATERAL SCLEROSIS AIFM2, GPX1, SOD1 ESR1 3396/4885ESR2 860/4885MTNR1A 211/4885
US-12570639-B2 Tetrahydroquinoline derivative and medicinal use thereof AIFM2, GPX1, GPX4 ESR1 3178/4885ESR2 411/4885MTNR1A 247/4885

“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.

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