SCHEMBL104187

SCHEMBL104187

CC1CNCCN1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.51
CYP2C19 P33261 1/20 0.48
MAPT P10636 1/20 0.46
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
ACHE P22303 1/20 0.45
HRH2 P25021 1/20 0.44
HTR2C P28335 2/20 0.43

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
SCHEMBL104699 1.00 SIGMAR1 (0.51) SIGMAR1CYP2C19MAPTSLC6A2SLC6A4
SCHEMBL104186 1.00 SIGMAR1 (0.51) SIGMAR1CYP2C19MAPTSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL27966160 0.98 SIGMAR1 (0.50) SIGMAR1CYP2C19MAPTSLC6A2SLC6A4
Dimethylamine SCHEMBL8560100 0.95 SIGMAR1 (0.47) SIGMAR1CYP2C19MAPTSLC6A2SLC6A4
SCHEMBL15093677 0.91 HRH3 (0.46) SIGMAR1CYP2C19MAPTHRH2
Pyridine SCHEMBL28167226 0.90 TP53 (0.44) SIGMAR1CYP2C19MAPTSLC6A2SLC6A4
Trifluoroacetic Acid SCHEMBL2915951 0.88 PDK1 (0.46) SIGMAR1CYP2C19MAPTSLC6A2SLC6A4
SCHEMBL17460241 0.87 HTR1A (0.42) SIGMAR1SLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL19281788 0.87 HTR1A (0.42) SIGMAR1SLC6A2SLC6A4SLC6A3HTR2C
Tert-Butyl Formate SCHEMBL27994114 0.85 CYP2C19 (0.43) SIGMAR1CYP2C19MAPTSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116496272-B 7-Benzyl piperazinyl-9-allyl dehydropeganine derivative and preparation method and application thereof 延安大学 2024-08-13 CN claimed
CN-116496272-A 7-benzyl piperazinyl-9-allyl dehydropeganine derivative and preparation method and application thereof 延安大学 2023-07-28 CN claimed
CN-104379578-B Carbamate compounds and its preparation and application 阿比德治疗公司 2017-06-09 CN claimed
US-20260132120-A1 SMALL-MOLECULE MODULATORS OF THE ORPHAN NUCLEAR RECEPTOR TLX BAYLOR COLLEGE OF MEDICINE (US) 2026-05-14 US disclosed
US-12545657-B2 Small-molecule modulators of the orphan nuclear receptor TLX BAYLOR COLLEGE OF MEDICINE (US) 2026-02-10 US disclosed
CN-116496272-B 7-Benzyl piperazinyl-9-allyl dehydropeganine derivative and preparation method and application thereof 延安大学 2024-08-13 CN disclosed
US-20240067625-A1 SMALL-MOLECULE MODULATORS OF THE ORPHAN NUCLEAR RECEPTOR TLX BAYLOR COLLEGE OF MEDICINE (US) 2024-02-29 US disclosed
CN-116254059-B Chemical mechanical polishing composition for edge polishing 昂士特科技(深圳)有限公司 2024-01-23 CN disclosed
CN-117377664-A Small molecule modulators of orphan nuclear receptor TLX 贝勒医学院 2024-01-09 CN disclosed
CN-117255689-A NMN and derivatives for the treatment of depression and/or anxiety in patients suffering from one form of Parkinson's disease 努瓦米德公司 2023-12-19 CN disclosed
CN-115926629-B Chemical mechanical polishing composition with improved recycling properties 昂士特科技(深圳)有限公司 2023-12-05 CN disclosed
WO-2002058695-A9 (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS MERCK & CO INC (US) 2003-09-12 WO disclosed
WO-2002058695-A1 (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS MERCK & CO., INC. (US) 2002-08-01 WO disclosed
CN-1067684-C Imidazo [1,5-1] quinolines for treatment of anxiety and sleep disorders PHAMACIA UPJOHN CO (US) 2001-06-27 CN disclosed
US-6221868-B1 Remedies/preventives for frequent urination/urinary incontinence and tropone derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-04-24 US disclosed
CN-1261347-A Remedies/preventives for frequent urination/urinary incontinence and tropone derivatives NIPPON KAYAKU KK (JP) 2000-07-26 CN disclosed
EP-0995741-A1 REMEDIES/PREVENTIVES FOR FREQUENT URINATION/URINARY INCONTINENCE AND TROPONE DERIVATIVES Nippon Kayaku Kabushiki Kaisha (JP) 2000-04-26 EP disclosed
CN-1135753-A Imidazo [1, 5-a ] quinolines for the treatment of anxiety and sleep disorders UPJOHN CO (US) 1996-11-13 CN disclosed
US-4880806-A BACTERICIDES OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1989-11-14 US disclosed
US-4874764-A ANTIMICROBIALS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1989-10-17 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 (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-12545657-B2 Small-molecule modulators of the orphan nuclear receptor TLX NR2E1, NR2C2, NR0B1 SIGMAR1 235/4885CYP2C19 4649/4885MAPT 983/4885
US-20240067625-A1 SMALL-MOLECULE MODULATORS OF THE ORPHAN NUCLEAR RECEPTOR TLX NR2E1, NR2E3, NR4A2 SIGMAR1 812/4885CYP2C19 4706/4885MAPT 559/4885
US-20260132120-A1 SMALL-MOLECULE MODULATORS OF THE ORPHAN NUCLEAR RECEPTOR TLX NR2E1, NR0B1, NR2C2 SIGMAR1 226/4885CYP2C19 4661/4885MAPT 1004/4885

“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.