SCHEMBL2476820

SCHEMBL2476820

c1ccc(COc2ccc(OCCN3CCCC3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 11/20 1.00
HTT P42858 2/20 0.86
HRH3 Q9Y5N1 1/20 0.75
NPC1 O15118 3/20 0.74
RAB9A P51151 3/20 0.74
KDM4E B2RXH2 3/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
ALDH1A1 P00352 2/20 0.72
NPSR1 Q6W5P4 1/20 0.72
L3MBTL1 Q9Y468 1/20 0.72
NPY1R P25929 1/20 0.71
KCNH2 Q12809 2/20 0.70
MCHR1 Q99705 2/20 0.70

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
SCHEMBL20748052 0.98 LTA4H (0.97) LTA4HHTTHRH3NPC1RAB9A
SCHEMBL4688871 0.98 LTA4H (0.97) LTA4HHTTHRH3NPC1RAB9A
SCHEMBL4689454 0.92 KDM4E (0.86) LTA4HHTTHRH3NPC1RAB9A
SCHEMBL3581020 0.91 NPC1 (0.87) LTA4HHTTHRH3NPC1RAB9A
SCHEMBL14970586 0.91 NPC1 (0.87) LTA4HHTTHRH3NPC1RAB9A
SCHEMBL7402238 0.89 KDM4E (0.85) LTA4HHTTHRH3NPC1RAB9A
SCHEMBL7402377 0.88 KDM4E (0.85) LTA4HHTTHRH3NPC1RAB9A
SCHEMBL7400511 0.88 KDM4E (0.85) LTA4HHTTHRH3NPC1RAB9A
Hydrochloric Acid SCHEMBL7397479 0.88 KDM4E (0.82) LTA4HHTTHRH3NPC1RAB9A
SCHEMBL7399833 0.88 KDM4E (0.85) LTA4HHTTHRH3NPC1RAB9A

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 26 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-2373163-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2015-06-10 EP disclosed
EP-2373163-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2015-06-10 EP disclosed
US-8232273-B2 Heterocyclic compounds and methods of use GENENTECH, INC. (US) 2012-07-31 US disclosed
US-8232273-B2 Heterocyclic compounds and methods of use GENENTECH, INC. (US) 2012-07-31 US disclosed
US-8232273-B2 Heterocyclic compounds and methods of use GENENTECH, INC. (US) 2012-07-31 US disclosed
US-6506876-B1 LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use G.D. SEARLE & CO. 2003-01-14 US disclosed
EP-0804427-B1 LTA4 HYDROLASE INHIBITORS SEARLE & CO (US) 2002-09-18 EP disclosed
EP-1221441-A2 LTA4 Hydrolase inhibitors G.D. SEARLE & CO. (US) 2002-07-10 EP disclosed
US-5723492-A LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1998-03-03 US disclosed
US-5719306-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed
EP-0804427-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1997-11-05 EP disclosed
EP-0786992-A2 LTA 4? HYDROLASE INHIBITOR PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1997-08-06 EP disclosed
US-5585492-A USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES WHICH ARE MEDIATED BY LTB4 PRODUCTION, SUCH AS PSORIASIS, ULCERATIVE COLITIS, IRRITABLE BOWEL DISEASE AND ASTHMA G. D. SEARLE & CO. (US) 1996-12-17 US disclosed
WO-1996010999-A2 LTA4 HYDROLASE INHIBITOR PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1996-04-18 WO disclosed
WO-1996011192-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1996-04-18 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 (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 LTA4H 2170/4885HTT 1106/4885HRH3 2487/4885
US-10208011-B2 Benzothiophene estrogen receptor modulators ESR1, GPER1, ESR2 LTA4H 2170/4885HTT 1106/4885HRH3 2487/4885
US-20200216406-A1 BENZOTHIOPHENE ESTROGEN RECEPTOR MODULATORS ESR1, GPER1, ESR2 LTA4H 2170/4885HTT 1106/4885HRH3 2487/4885
US-10633362-B2 Benzothiophene estrogen receptor modulators ESR1, GPER1, ESR2 LTA4H 2170/4885HTT 1106/4885HRH3 2487/4885
US-20190119243-A1 BENZOTHIOPHENE ESTROGEN RECEPTOR MODULATORS ESR1, GPER1, ESR2 LTA4H 2170/4885HTT 1106/4885HRH3 2487/4885

“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.