SCHEMBL94877

SCHEMBL94877

[CH2]CCCCC1CCCCCC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.56
CYP1A2 P05177 1/20 0.54
EPHX1 P07099 1/20 0.39
KDM5A P29375 2/20 0.37
PHF8 Q9UPP1 2/20 0.37
KDM2A Q9Y2K7 2/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM4A O75164 1/20 0.37
MAPT P10636 1/20 0.36
CEL P19835 1/20 0.36

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
SCHEMBL1482399 1.00 SIGMAR1 (0.56) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL5171202 1.00 SIGMAR1 (0.56) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL446539 1.00 SIGMAR1 (0.56) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL25313409 1.00 SIGMAR1 (0.56) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL3027416 1.00 SIGMAR1 (0.56) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL25313563 1.00 SIGMAR1 (0.56) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL65834 0.97 SIGMAR1 (0.60) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL646878 0.97 SIGMAR1 (0.60) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL8499356 0.97 SIGMAR1 (0.60) SIGMAR1CYP1A2EPHX1KDM5APHF8
SCHEMBL2290342 0.97 SIGMAR1 (0.60) SIGMAR1CYP1A2EPHX1KDM5APHF8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-11-02 US disclosed
US-20230099694-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-03-30 US disclosed
CN-114787282-A Cationic emulsion composition of polyorganosiloxane and preparation method thereof 信越化学工业株式会社 2022-07-22 CN disclosed
US-20210113556-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-04-22 US disclosed
US-20210052575-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-25 US disclosed
US-20200317644-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2020-10-08 US disclosed
US-20200237755-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-07-30 US disclosed
US-RE48059-E1 Piperazine-substituted benzothiophenes for treatment of mental disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-06-23 US disclosed
US-20200061056-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-02-27 US disclosed
US-20190321359-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-10-24 US disclosed
US-4963566-A ANTIULCER AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-10-16 US disclosed
US-4895847-A ANTIHYPOXIC, ANTIINFLAMMATORY, HYPOTENSIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-01-23 US disclosed
EP-0325397-A1 Diurea derivatives useful as medicaments and processes for the preparation thereof YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1989-07-26 EP disclosed
US-4788130-A ANTIHYDOXIC, HYPOTENSIVE, ANTIINFLAMMATORY AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-11-29 US disclosed
EP-0267024-A2 Hydrofluorene derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-05-11 EP disclosed
EP-0239129-A2 Hydroquinoline compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-09-30 EP disclosed
EP-0173331-A2 2,3-Dihydro-1H-indene derivatives, a process for preparing them and pharmaceutical compositions containing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-03-05 EP disclosed
US-4389345-A 3-Oxoestra-17-acetonitrile and unsaturated analogs G.D. SEARLE & CO. (US) 1983-06-21 US disclosed
EP-0077040-A1 3-Oxaestra-17-acetonitrile and unsaturated analogs, a process for their preparation and pharmaceutical compositions containing said compounds G.D. Searle & Co. (US) 1983-04-20 EP disclosed
US-4296129-A ANTIAASTHMATIC INHIBITOR OF SLOW-REACTING SUBSTANCE OF ANAPHYLAXIS PFIZER, INC. (US) 1981-10-20 US 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 (8 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-20230099694-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, BRPF3, BRD4 SIGMAR1 80/4885CYP1A2 211/4885EPHX1 970/4885
US-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 SIGMAR1 1736/4885CYP1A2 23/4885EPHX1 4209/4885
US-20200237755-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C SIGMAR1 784/4885CYP1A2 38/4885EPHX1 1953/4885
US-20210052575-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, SULT2A1, CYP4Z1 SIGMAR1 101/4885CYP1A2 109/4885EPHX1 315/4885
US-20200061056-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, BRPF3, BRD4 SIGMAR1 80/4885CYP1A2 211/4885EPHX1 970/4885
US-20200317644-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 SIGMAR1 1736/4885CYP1A2 23/4885EPHX1 4209/4885
US-20210113556-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C SIGMAR1 784/4885CYP1A2 38/4885EPHX1 1953/4885
US-20190321359-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C SIGMAR1 784/4885CYP1A2 38/4885EPHX1 1953/4885

“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.