SCHEMBL82435

SCHEMBL82435

Cc1ccc(OCCN2CCCCC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.73
PSMB1 P20618 8/20 0.70
PSMB5 P28074 8/20 0.70
PSMB2 P49721 6/20 0.70
MAPK14 Q16539 1/20 0.66
LTA4H P09960 5/20 0.66
KDM4E B2RXH2 2/20 0.66

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
SCHEMBL12035585 1.00 HRH3 (0.73) HRH3PSMB1PSMB5PSMB2MAPK14
Hydrochloric Acid SCHEMBL6473996 0.98 HRH3 (0.71) HRH3PSMB1PSMB5PSMB2MAPK14
SCHEMBL8337754 0.98 HRH3 (0.70) HRH3PSMB1PSMB5PSMB2MAPK14
Hydrochloric Acid SCHEMBL8972891 0.96 HRH3 (0.68) HRH3PSMB1PSMB5PSMB2MAPK14
SCHEMBL15834053 0.95 HRH3 (0.66) HRH3PSMB1PSMB5PSMB2MAPK14
SCHEMBL7447133 0.93 HRH3 (0.73) HRH3PSMB1PSMB5PSMB2MAPK14
SCHEMBL2827364 0.91 HRH3 (0.75) HRH3MAPK14KDM4E
SCHEMBL10200146 0.91 HRH3 (0.75) HRH3MAPK14KDM4E
SCHEMBL13246349 0.90 HRH3 (0.73) HRH3MAPK14
SCHEMBL2629440 0.89 HRH3 (0.72) HRH3MAPK14KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6768024-B1 CONTROLLING OBESITY, SEXUAL DYSFUNCTION OR INFLAMMATION LION BIOSCIENCE AG (DE) 2004-07-27 US claimed
CN-116715657-A Diaryl acetylene compound, preparation method and application thereof 河南省锐达医药科技有限公司 2023-09-08 CN disclosed
CN-116675686-A Isoindolinyl-piperidine carboxamide compound, and preparation method and application thereof 河南省锐达医药科技有限公司 2023-09-01 CN disclosed
CN-116554158-A Isoindolinyl-piperazinyl urea compound, and preparation method and application thereof 河南省锐达医药科技有限公司 2023-08-08 CN disclosed
US-11576891-B2 Methods of treating or preventing estrogen-related diseases ENDORECHERCHE, INC. 2023-02-14 US disclosed
CN-113444035-B Naphthyl urea compounds with anticancer effect and preparation method and application thereof 河南省锐达医药科技有限公司 2022-05-27 CN disclosed
CN-112961120-B Naphthyl urea compound, preparation method and application thereof 河南省锐达医药科技有限公司 2022-02-08 CN disclosed
US-20200054643-A1 FUSED HETEROCYCLIC COMPOUNDS AS SELECTIVE BMP INHIBITORS VANDERBILT UNIVERSITY 2020-02-20 US disclosed
US-10478443-B2 Sex steroid precursors alone or in combination with selective estrogen receptor modulators for the prevention and treatment of sexual dysfunction in postmenopausal women ENDORECHERCHE, INC. (CA) 2019-11-19 US disclosed
US-10196392-B2 Fused heterocyclic compounds as selective BMP inhibitors VANDERBILT UNIVERSITY (US) 2019-02-05 US disclosed
US-6768024-B1 CONTROLLING OBESITY, SEXUAL DYSFUNCTION OR INFLAMMATION LION BIOSCIENCE AG (DE) 2004-07-27 US disclosed
EP-0832880-A1 Dihydrobenzofluorene compounds, intermediates, compositions, and methods ELI LILLY AND COMPANY (US) 1998-04-01 EP disclosed
EP-0774966-A4 BENZOFURAN COMPOUNDS, COMPOSITIONS, AND METHODS LILLY CO ELI (US) 1998-01-07 EP disclosed
EP-0774966-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS, AND METHODS ELI LILLY AND COMPANY (US) 1997-05-28 EP disclosed
WO-1996009040-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS, AND METHODS ELI LILLY AND COMPANY (US) 1996-03-28 WO disclosed
WO-1996009039-A1 NAPHTHYL COMPOUNDS, INTERMEDIATES, PROCESSES, COMPOSITIONS, AND METHODS ELI LILLY AND COMPANY (US) 1996-03-28 WO disclosed
WO-1996009051-A1 A METHOD FOR MINIMIZING THE UTEROTROPHIC EFFECT OF TAMOXIFEN AND TAMOXIFEN ANALOGS ELI LILLY AND COMPANY (US) 1996-03-28 WO disclosed
EP-0703228-A1 Naphthyl compounds, intermediates, processes, compositions involving them ELI LILLY AND COMPANY (US) 1996-03-27 EP disclosed
EP-0702961-A2 Compositions for minimizing the uterotrophic effect of tamoxifen and its analogs ELI LILLY AND COMPANY (US) 1996-03-27 EP disclosed
EP-0702962-A2 Preparations for inhibiting mammalian breast carcinoma with tamoxifen and analogs thereof, and certain naphthyl compounds ELI LILLY AND COMPANY (US) 1996-03-27 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-10196392-B2 Fused heterocyclic compounds as selective BMP inhibitors BMP1, BMP4, BMP2 HRH3 1410/4885PSMB1 3072/4885PSMB5 2284/4885
US-20200054643-A1 FUSED HETEROCYCLIC COMPOUNDS AS SELECTIVE BMP INHIBITORS BMP1, BMP4, BMPR2 HRH3 1002/4885PSMB1 3191/4885PSMB5 1819/4885
US-11576891-B2 Methods of treating or preventing estrogen-related diseases SHBG, ESRRA, ESR2 HRH3 1922/4885PSMB1 1844/4885PSMB5 1199/4885
US-10478443-B2 Sex steroid precursors alone or in combination with selective estrogen receptor modulators for the prevention and treatment of sexual dysfunction in postmenopausal women GPER1, ESR1, ESR2 HRH3 857/4885PSMB1 2910/4885PSMB5 1818/4885

“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.