SCHEMBL5915632

SCHEMBL5915632

CN(C)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 1.00
▸ HRH3 Q9Y5N1 4/20 0.81
▸ ALDH1A1 P00352 2/20 0.73
▸ TSHR P16473 1/20 0.73
▸ PYCR1 P32322 1/20 0.58
▸ HDAC3 O15379 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ AOC3 Q16853 1/20 0.48
▸ NAAA Q02083 1/20 0.47
▸ CHKA P35790 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ TNKS O95271 1/20 0.46
▸ MMP3 P08254 1/20 0.46

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
SCHEMBL12679031 0.90 HRH3 (1.00) TAAR1HRH3ALDH1A1TSHRPYCR1
SCHEMBL12902355 0.86 TAAR1 (0.75) TAAR1HRH3ALDH1A1TSHRPYCR1
SCHEMBL24735547 0.85 TSHR (1.00) TAAR1HRH3ALDH1A1TSHRPYCR1
SCHEMBL15900 0.85 TSHR (1.00) TAAR1HRH3ALDH1A1TSHRPYCR1
SCHEMBL5014268 0.85 TSHR (1.00) TAAR1HRH3ALDH1A1TSHRPYCR1
SCHEMBL27766437 0.85 TSHR (1.00) TAAR1HRH3ALDH1A1TSHRPYCR1
SCHEMBL12885335 0.84 TAAR1 (0.71) TAAR1HRH3ALDH1A1TSHRPYCR1
SCHEMBL1158117 0.82 TSHR (0.94) TAAR1HRH3ALDH1A1TSHRPYCR1
Bromide SCHEMBL414531 0.82 TSHR (0.94) TAAR1HRH3ALDH1A1TSHRPYCR1
Fluoride SCHEMBL634654 0.82 TSHR (0.94) TAAR1HRH3ALDH1A1TSHRPYCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12195446-B2 Heteroaryl compounds and their use as therapeutic drugs DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2025-01-14 — — US disclosed
EP-4139308-B1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES COMMISSARIAT ENERGIE ATOMIQUE (FR) 2024-07-17 — — EP disclosed
CN-117531520-A Catalyst and preparation method and application thereof 厦门大学 2024-02-09 — — CN disclosed
WO-2024027109-A1 CATALYST, PREPARATION METHOD THEREFOR AND USE THEREOF XIAMEN UNIVERSITY (CN) 2024-02-08 — — WO disclosed
CN-116730787-A Preparation method of 9, 9-dibenzyl-9-hydrogen-fluorene 广西中烟工业有限责任公司 2023-09-12 — — CN disclosed
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-08-22 — — US disclosed
US-20230002353-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG A SOCIO HOLDINGS CO LTD (KR) 2023-01-05 — — US disclosed
CN-109705015-B Histone deacetylase inhibitor and preparation method and application thereof 成都先导药物开发股份有限公司 2022-05-24 — — CN disclosed
WO-2021214315-A1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2021-10-28 — — WO disclosed
EP-2664619-B1 Purine derivatives as tools for screening anti-Alzheimer compounds MANROS THERAPEUTICS (FR) 2017-07-12 — — EP disclosed
WO-2016107542-A1 PYRROLE AMIDE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 成都先导药物开发有限公司 2016-07-07 — — WO disclosed
WO-2016107544-A1 INTERMEDIATE COMPOUND FOR PREPARING PYRROLE AMIDE COMPOUND AND PREPARATION METHOD AND USE THEREOF 成都先导药物开发有限公司 2016-07-07 — — WO disclosed
WO-2015179299-A1 DIPICOLYLAMINE DERIVATIVES AND THEIR PHARMACEUTICAL USES MOLECULAR TARGETING TECHNOLOGIES, INC. (US) 2015-11-26 — — WO disclosed
CN-101707914-A Resin composition TEIJIN LTD 2010-05-12 — — CN disclosed
CN-101451012-A Flame retardant polycarbonate resin composition with excellent electrostatic prevention property TEIJIN CHEMICALS LTD (JP) 2009-06-10 — — CN disclosed
US-20060052600-A1 Amino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2006-03-09 — — US disclosed
EP-1215203-B1 HYDROXAMIC ACID DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2005-02-16 — — EP disclosed
US-20040214896-A1 Hydroxamic acid derivatives, the methods for preparation thereof and pharmaceutical compositions comprising thereof, as an active ingredient ONO PHARMACEUTICAL CO., LTD. 2004-10-28 — — US disclosed
US-6770644-B1 Hydroxamic acid derivatives, process for the production thereof and drug containing the same as the active ingredient ONO PHARMACEUTICALS CO., LTD. (JP) 2004-08-03 — — US disclosed
EP-1215203-A1 HYDROXAMIC ACID DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-06-19 — — 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 (4 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-20040214896-A1 Hydroxamic acid derivatives, the methods for preparation thereof and pharmaceutical compositions comprising thereof, as an active ingredient HIF1AN, IL6, PYGM TAAR1 4442/4885HRH3 3134/4885ALDH1A1 274/4885
US-12195446-B2 Heteroaryl compounds and their use as therapeutic drugs MERTK, ERBB2, SRC TAAR1 2485/4885HRH3 2012/4885ALDH1A1 3115/4885
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 TAAR1 4194/4885HRH3 2351/4885ALDH1A1 1808/4885
US-20230002353-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS MERTK, ERBB2, SRC TAAR1 2485/4885HRH3 2012/4885ALDH1A1 3115/4885

“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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