SCHEMBL3269917

SCHEMBL3269917

O=C1CCc2ccc(Cl)cc2C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.54
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48
METAP1 P53582 1/20 0.47
PNMT P11086 1/20 0.46
AHR P35869 2/20 0.44
CMA1 P23946 1/20 0.44
SRD5A1 P18405 5/20 0.42
F7 P08709 1/20 0.42
PARP1 P09874 1/20 0.42
F3 P13726 1/20 0.42
PARP10 Q53GL7 1/20 0.42
SRD5A2 P31213 2/20 0.41
NOTUM Q6P988 3/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39

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
SCHEMBL30748374 1.00 CYP2A6 (0.54) CYP2A6HTR2AHTR2CHTR2BMETAP1
SCHEMBL588130 0.92 CYP2A6 (0.54) CYP2A6HTR2AHTR2CHTR2BMETAP1
SCHEMBL5143608 0.88 HTR2A (0.46) CYP2A6HTR2AHTR2CHTR2BMETAP1
SCHEMBL1800067 0.85 METAP1 (0.52) CYP2A6HTR2AHTR2CHTR2BMETAP1
SCHEMBL16559360 0.84 HTR2A (0.58) HTR2AHTR2CHTR2BMETAP1PNMT
SCHEMBL27844095 0.81 CYP2A6 (0.42) CYP2A6HTR2AHTR2CHTR2BMETAP1
SCHEMBL27844072 0.81 CYP2A6 (0.42) CYP2A6HTR2AHTR2CHTR2BMETAP1
Pyrrolidine SCHEMBL10564943 0.81 HTR2C (0.56) CYP2A6HTR2AHTR2CHTR2BMETAP1
SCHEMBL12430509 0.80 HTR2A (0.46) CYP2A6HTR2AHTR2CHTR2BMETAP1
SCHEMBL15962624 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12209092-B2 Inhibitors of GLI1 as therapeutic agents NEW YORK UNIVERSITY (US) 2025-01-28 US disclosed
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 US disclosed
EP-3883932-B1 INHIBITORS OF GLI1 AS THERAPEUTIC AGENTS UNIV NEW YORK (US) 2023-03-29 EP disclosed
US-20220009935-A1 INHIBITORS OF GLI1 AS THERAPEUTIC AGENTS NEW YORK UNIVERSITY 2022-01-13 US disclosed
US-20220009935-A1 INHIBITORS OF GLI1 AS THERAPEUTIC AGENTS NEW YORK UNIVERSITY 2022-01-13 US disclosed
CN-113316577-A GLi1 inhibitors as therapeutic agents 纽约大学 2021-08-27 CN disclosed
EP-1741693-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE ALCOHOLS NAGOYA IND SCIENCE RES INST (JP) 2011-08-03 EP disclosed
EP-1914229-B1 NOVEL CERCOSPORAMIDE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-06-16 EP disclosed
US-20090326258-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED TETRALIN AND SUBSTITUTED INDANE DERIVATIVES ZHAN-PLASKET FAN 2009-12-31 US disclosed
US-7576238-B2 Process for the preparation of substituted tetralin and substituted indane derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-18 US disclosed
US-5436261-A Adrenergic agonists ADIR ET COMPAGNIE (FR) 1995-07-25 US disclosed
EP-0635497-A2 Benzospiroalkene derivatives, process for their preparation and pharmaceutical compostions containing them ADIR ET COMPAGNIE (FR) 1995-01-25 EP disclosed
EP-0230967-B1 BENZAZECINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1991-10-23 EP disclosed
US-4957911-A LEARNING ENHANCEMENT HOFFMANN-LA ROCHE INC. (US) 1990-09-18 US disclosed
US-4876340-A Benzazecine derivatives for cognitive and memory functions HOFFMANN-LA ROCHE INC. (US) 1989-10-24 US disclosed
US-4749791-A Benzo[f]quinoline intermediates HOFFMANN-LA ROCHE INC. (US) 1988-06-07 US disclosed
US-4732979-A CEREBRAL INSUFFICIENCY HOFFMANN-LA ROCHE INC. (US) 1988-03-22 US disclosed
EP-0230967-A2 Benzazecine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1987-08-05 EP disclosed
US-4540705-A Antidepressant imidazolines and related compounds STERLING DRUG INC. (US) 1985-09-10 US disclosed
EP-0125410-A2 Imidazolines and related compounds and preparation thereof STERLING DRUG INC. (US) 1984-11-21 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-12209092-B2 Inhibitors of GLI1 as therapeutic agents GLI1, GLI2, SHH CYP2A6 4734/4885HTR2A 2682/4885HTR2C 3319/4885
US-20090326258-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED TETRALIN AND SUBSTITUTED INDANE DERIVATIVES TDO2, ITPA, TTI2 CYP2A6 955/4885HTR2A 2668/4885HTR2C 2327/4885
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PAH, ALDH2, IDH2 CYP2A6 1025/4885HTR2A 3118/4885HTR2C 2996/4885
US-20220009935-A1 INHIBITORS OF GLI1 AS THERAPEUTIC AGENTS GLI1, GLI2, SHH CYP2A6 4734/4885HTR2A 2682/4885HTR2C 3319/4885

“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.