SCHEMBL6133

SCHEMBL6133

CN[C@@H](C)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.54
CYP2D6 P10635 3/20 0.54
CHRM2 P08172 2/20 0.54
ADRA1A P35348 2/20 0.54
CYP2C19 P33261 2/20 0.54
ALOX15 P16050 2/20 0.54
ALOX12 P18054 2/20 0.54
HSD17B10 Q99714 2/20 0.54
RGS12 O14924 1/20 0.54
GLA P06280 1/20 0.54
CYP2C9 P11712 1/20 0.54
PKM P14618 1/20 0.54
TSHR P16473 1/20 0.54
ADRA2C P18825 1/20 0.54
NFKB1 P19838 1/20 0.54
HTR2A P28223 1/20 0.54
THPO P40225 1/20 0.54
GNAI1 P63096 1/20 0.54
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52

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
SCHEMBL4318 1.00 CYP3A4 (0.54) CYP3A4CYP2D6CHRM2ADRA1ACYP2C19
SCHEMBL21533 1.00 CYP3A4 (0.54) CYP3A4CYP2D6CHRM2ADRA1ACYP2C19
Methane SCHEMBL28682583 0.97 CYP3A4 (0.52) CYP3A4CYP2D6CHRM2ADRA1ACYP2C19
Hydrochloric Acid SCHEMBL28141900 0.97 KMT2A (0.56) CYP3A4CYP2D6CHRM2ADRA1ACYP2C19
SCHEMBL13824244 0.87 ADRA2C (0.53) CYP3A4CYP2D6CHRM2ADRA1ACYP2C19
SCHEMBL11296451 0.85 PTGS2 (0.50) CYP3A4CYP2D6CHRM2ADRA1ACYP2C19
SCHEMBL8693501 0.80 ACACB (0.57) ALOX12TSHRHTR2ASLC6A4ALDH1A1
SCHEMBL2390659 0.80 CYP3A4 (0.52) CYP3A4CYP2D6CHRM2ADRA1ACYP2C19
SCHEMBL8437895 0.80 SIGMAR1 (0.61) CYP3A4CYP2D6CHRM2ADRA1ACYP2C19
SCHEMBL28869351 0.80 CYP3A4 (0.52) CYP3A4CYP2D6CHRM2ADRA1ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240124456-A1 AZA-ERGOLINE DERIVATIVE AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAITECH UNIVERSITY (CN) 2024-04-18 US claimed
EP-4286384-A1 AZA-ERGOLINE DERIVATIVE AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ShanghaiTech University (CN) 2023-12-06 EP claimed
WO-2022161493-A1 AZA-ERGOLINE DERIVATIVE AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海科技大学 2022-08-04 WO claimed
CN-112500429-B Preparation method of Reidesciclovir intermediate 东南大学 2022-04-12 CN claimed
CN-112500429-A Preparation method of Reidesciclovir intermediate 东南大学 2021-03-16 CN claimed
EP-1656349-B1 CYCLOPROPYL DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS LUNDBECK & CO AS H (DK) 2011-10-12 EP claimed
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US claimed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
WO-1998007653-A1 CHIRAL HYDRIDE COMPLEXES ZEELAND CHEMICALS, INC. (US) 1998-02-26 WO claimed
CN-122055358-A GPR65 small molecule regulator and preparation method and application thereof 四川大学 2026-05-15 CN disclosed
US-12486293-B2 Chirality sensing with molecular click chemistry probes GEORGETOWN UNIVERSITY (US) 2025-12-02 US disclosed
EP-4613736-A1 GAMMA-AMINOBUTYRIC ACID DERIVATIVE COMPRISING POLYCYCLIC STRUCTURE, METHOD FOR PREPARING SAME, AND USE THEREOF Zhongshan Institute for Drug Discovery, SIMM, Chinese Academy of Sciences (CN) 2025-09-10 EP disclosed
US-20250214991-A1 BICYCLIC HETEROARYL-CONTAINING COMPOUNDS AS IKZF2 DEGRADERS ONCOPIA THERAPEUTICS, INC. D/B/A/ SK LIFE SCIENCE LABS 2025-07-03 US disclosed
US-20250178999-A1 ONE STEP SYNTHESIS OF 1-TETRALONE COMPOUNDS AND USES THEREOF IN THE PREPARATION OF (+)-TETRALONE ABSCISIC ACID (ABA) UNIVERSITY OF SASKATCHEWAN (CA) 2025-06-05 US disclosed
EP-0521496-A2 Process for producing optically active carboxylic acids Consortium für elektrochemische Industrie GmbH (DE) 1993-01-07 EP disclosed
US-4874760-A CALCIUM ANTAGONISTS TOA EIYO, LTD. (JP) 1989-10-17 US disclosed
EP-0277701-A1 Thiazolopyridine derivative, their production and cardiovascular treating agents containing them TOA EIYO LTD. (JP) 1988-08-10 EP disclosed
EP-0044158-B1 NOVEL OPTICALLY ACTIVE IMIDAZOLIDIN-2-ONE DERIVATIVES AND THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-08-15 EP disclosed
US-4403096-A Optically active imidazolidin-2-one derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-09-06 US disclosed
EP-0044158-A1 Novel optically active imidazolidin-2-one derivatives and their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-01-20 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 (5 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-20240124456-A1 AZA-ERGOLINE DERIVATIVE AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ERG, CHRNA7, CHRNA5 CYP3A4 235/4885CYP2D6 291/4885CHRM2 114/4885
US-20250178999-A1 ONE STEP SYNTHESIS OF 1-TETRALONE COMPOUNDS AND USES THEREOF IN THE PREPARATION OF (+)-TETRALONE ABSCISIC ACID (ABA) AAK1, ACSL1, COASY CYP3A4 2560/4885CYP2D6 2628/4885CHRM2 3632/4885
US-12486293-B2 Chirality sensing with molecular click chemistry probes PTMS, NISCH, CHAMP1 CYP3A4 367/4885CYP2D6 503/4885CHRM2 4458/4885
US-20250214991-A1 BICYCLIC HETEROARYL-CONTAINING COMPOUNDS AS IKZF2 DEGRADERS IKZF1, IKZF2, IKZF3 CYP3A4 308/4885CYP2D6 321/4885CHRM2 4653/4885
US-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 CYP3A4 554/4885CYP2D6 287/4885CHRM2 4875/4885

“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.