SCHEMBL699174

SCHEMBL699174

Oc1ccc(OCCN2CCCCC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.76
ESR2 Q92731 7/20 0.76
PSMB1 P20618 8/20 0.70
PSMB5 P28074 8/20 0.70
PSMB2 P49721 5/20 0.70
HRH3 Q9Y5N1 2/20 0.68
LTA4H P09960 1/20 0.64
KDM4E B2RXH2 1/20 0.63

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
SCHEMBL1359959 1.00 ESR1 (0.76) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL2475993 0.98 ESR1 (0.75) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL13649149 0.95 ESR1 (0.70) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL3573974 0.91 HRH3 (0.75) ESR1ESR2HRH3
SCHEMBL5174035 0.91 PSMB1 (0.68) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL15492001 0.91 HRH3 (0.66) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL5649675 0.90 PSMB1 (0.82) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL4688676 0.89 HRH3 (0.72) ESR1ESR2HRH3KDM4E
SCHEMBL7367096 0.88 HRH3 (0.72) HRH3
SCHEMBL31402365 0.87 ESR1 (0.62) ESR1ESR2PSMB1PSMB5PSMB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10981887-B2 Benzothiophene estrogen receptor modulators G1 THERAPEUTICS, INC. (US) 2021-04-20 US disclosed
US-20200216406-A1 BENZOTHIOPHENE ESTROGEN RECEPTOR MODULATORS G1 THERAPEUTICS, INC. (US) 2020-07-09 US disclosed
US-10633362-B2 Benzothiophene estrogen receptor modulators G1 THERAPEUTICS, INC. (US) 2020-04-28 US disclosed
US-20190119243-A1 BENZOTHIOPHENE ESTROGEN RECEPTOR MODULATORS G1 THERAPEUTICS, INC. (US) 2019-04-25 US disclosed
US-10208011-B2 Benzothiophene estrogen receptor modulators G1 THERAPEUTICS, INC. (US) 2019-02-19 US disclosed
EP-3192795-A1 COMPOSITIONS AND METHODS FOR TREATING ESTROGEN-RELATED MEDICAL DISORDERS The Board of Trustees of the University of Illionis (US) 2017-07-19 EP disclosed
US-8476300-B2 Selective estrogen receptor modulator for the treatment of osteoarthritis ELI LILLY AND COMPANY (US) 2013-07-02 US disclosed
US-8476300-B2 Selective estrogen receptor modulator for the treatment of osteoarthritis ELI LILLY AND COMPANY (US) 2013-07-02 US disclosed
US-8476300-B2 Selective estrogen receptor modulator for the treatment of osteoarthritis ELI LILLY AND COMPANY (US) 2013-07-02 US disclosed
EP-2604601-A1 HETERO RING COMPOUND Astellas Pharma Inc. (JP) 2013-06-19 EP disclosed
US-5969142-A OXIDIZING SULFUR ATOM OF SUBSTITUTED BENZOTHIOPHENE, REACTING PRODUCT WITH NUCLEOPHILIC GROUP, REDUCING PRODUCT TO DESIRED COMPOUND ELI LILLY AND COMPANY (US) 1999-10-19 US disclosed
US-5919800-A INHIBITING ENDOMETRIOSIS BY ADMISTERING (6-HYDROXY-3-(4-(2-(1-PIPERIDINYL)ETHOXY)PHENOXY)-2-(4-METHOXYPHENYL))BENZO B)THIOPHENE OR THE HYDROCHLORIDE SALT THEREOF ELI LILLY AND COMPANY (US) 1999-07-06 US disclosed
US-5856339-A POST-MENOPAUSAL SYNDROME, AND UTERINE FIBROID DISEASE, ENDOMETRIOSIS, AND AORTAL SMOOTH MUSCLE CELL PROLIFERATION. ELI LILLY AND COMPANY (US) 1999-01-05 US disclosed
US-5856341-A INHIBITING BONE LOSS OR BONE RESORPTION, PARTICULARLY OSTEOPOROSIS, CARDIOVASCULAR-RELATED PATHOLOGICAL CONDITIONS INCLUDING HYPERLIPIDEMIA, ESTROGEN-DEPENDENT CANCER ELI LILLY AND COMPANY (US) 1999-01-05 US disclosed
US-5856340-A 2-PHENYL-3-/ALKOXYPHENOXY OR PHENYLTHIO/BENZOTHIOPHENES ELI LILLY AND COMPANY (US) 1999-01-05 US disclosed
WO-1998045287-A1 TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS WITH SELECTIVE ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 1998-10-15 WO disclosed
WO-1998045286-A1 PREVENTION OF BREAST CANCER WITH SELECTIVE ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 1998-10-15 WO disclosed
WO-1998045288-A1 TREATMENT OR PROPHYLAXIS OF PROSTATIC CANCER AND BENIGN PROSTATIC HYPERPLASIA WITH SELECTIVE ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 1998-10-15 WO disclosed
US-5723474-A TREATING POST-MENOPAUSAL SYNDROME, UTERINE FIBROID DISEASE, ENDOMETRIOSIS, AND AORTAL SMOOTH MUSCLE CELL PROLIFERATION; ANTIESTROGENS ELI LILLY AND COMPANY (US) 1998-03-03 US disclosed
EP-0729956-A1 Benzothiophene compounds, intermediates, compositions, and methods ELI LILLY AND COMPANY (US) 1996-09-04 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-10981887-B2 Benzothiophene estrogen receptor modulators ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885PSMB1 2280/4885
US-10208011-B2 Benzothiophene estrogen receptor modulators ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885PSMB1 2280/4885
US-20200216406-A1 BENZOTHIOPHENE ESTROGEN RECEPTOR MODULATORS ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885PSMB1 2280/4885
US-10633362-B2 Benzothiophene estrogen receptor modulators ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885PSMB1 2280/4885
US-20190119243-A1 BENZOTHIOPHENE ESTROGEN RECEPTOR MODULATORS ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885PSMB1 2280/4885

“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.