SCHEMBL7512960

SCHEMBL7512960

COc1ccc2c(c1)OCC(c1cccc(C(F)(F)F)c1)C2c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.65
ESR2 Q92731 11/20 0.65
HRH3 Q9Y5N1 3/20 0.59
CHRM2 P08172 2/20 0.59
ADRA2A P08913 2/20 0.59
ADORA3 P0DMS8 2/20 0.59
CHRM1 P11229 2/20 0.59
SLC6A2 P23975 2/20 0.59
SLC6A4 P31645 2/20 0.59
ADRA1A P35348 2/20 0.59
DRD3 P35462 2/20 0.59
SLC6A3 Q01959 2/20 0.59
KCNH2 Q12809 2/20 0.59
PGR P06401 1/20 0.59
HTR1A P08908 1/20 0.59
DRD1 P21728 1/20 0.59
TBXA2R P21731 1/20 0.59
PTGS1 P23219 1/20 0.59
OPRM1 P35372 1/20 0.59
HTT P42858 1/20 0.59

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
SCHEMBL7512954 1.00 ESR1 (0.65) ESR1ESR2HRH3CHRM2ADRA2A
SCHEMBL8178384 1.00 ESR1 (0.65) ESR1ESR2HRH3CHRM2ADRA2A
SCHEMBL8166418 0.99 ESR1 (0.66) ESR1ESR2HRH3CHRM2ADRA2A
SCHEMBL7508532 0.99 ESR1 (0.66) ESR1ESR2HRH3CHRM2ADRA2A
SCHEMBL7508526 0.99 ESR1 (0.66) ESR1ESR2HRH3CHRM2ADRA2A
SCHEMBL8165823 0.92 ESR1 (0.66) ESR1ESR2HRH3CHRM2ADRA2A
SCHEMBL6901059 0.92 ESR1 (0.66) ESR1ESR2HRH3CHRM2ADRA2A
SCHEMBL7017102 0.92 ESR1 (0.66) ESR1ESR2HRH3CHRM2ADRA2A
SCHEMBL8177357 0.91 ESR1 (0.66) ESR1ESR2HRH3CHRM2ADRA2A
SCHEMBL7506156 0.91 ESR1 (0.66) ESR1ESR2HRH3CHRM2ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0937060-B1 CIS-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK AS (DK) 2002-12-11 EP disclosed
EP-0937062-B1 NOVEL CIS-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK AS (DK) 2002-12-11 EP disclosed
US-6316494-B1 FOR THERAPY AND PROPHYLAXIS OF BONE LOSS, OSTEOPOROSIS, CARDIOVASCULAR DISEASES, COGNITIVE DISORDERS, MENOPAUSAL SYMPTOMS, INCONTINENCE, OBESITY, DYSMENORRHEA, DYSFUNCTIONAL UTERINE BLEEDING, ACNE, HIRSUTISM, POST-PARTUM LACTATION NOVO NORDISK A/S (DK) 2001-11-13 US disclosed
US-20010021710-A1 NOVEL CIS-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 2001-09-13 US disclosed
US-6043269-A ESTROGEN AGONISTS NOVO NORDISK A/S (DK) 2000-03-28 US disclosed
EP-0937062-A1 NOVEL $i(CIS)-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 1999-08-25 EP disclosed
EP-0937060-A1 NOVEL $i(CIS)-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 1999-08-25 EP disclosed
WO-1998018779-A1 NOVEL CIS-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 1998-05-07 WO disclosed
WO-1998018776-A1 NOVEL CIS-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES NOVO NORDISK A/S (DK) 1998-05-07 WO 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 (1 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-20010021710-A1 NOVEL CIS-3,4-CHROMAN DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES CYP19A1, ESR2, ESRRA ESR1 6/4885ESR2 2/4885HRH3 3371/4885

“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.