SCHEMBL7802979

SCHEMBL7802979

ClCc1ccc(C(c2ccccc2)(c2ccccc2)n2ccnc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.73
CYP11B2 P19099 3/20 0.73
CYP19A1 P11511 13/20 0.58
CYP3A4 P08684 3/20 0.58
NR1I2 O75469 2/20 0.58
ADORA3 P0DMS8 2/20 0.58
TBXA2R P21731 2/20 0.58
CCKBR P32239 2/20 0.58
OPRK1 P41145 2/20 0.58
SLC6A3 Q01959 2/20 0.58
KCNH2 Q12809 2/20 0.58
NR1H4 Q96RI1 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2D6 P10635 2/20 0.58
MAPT P10636 2/20 0.58
TBXAS1 P24557 2/20 0.58
MEN1 O00255 1/20 0.58
SLC22A1 O15245 1/20 0.58
KCNN4 O15554 1/20 0.58
GMNN O75496 1/20 0.58

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
Hydrochloric Acid SCHEMBL9670895 0.98 CYP11B1 (0.71) CYP11B1CYP11B2CYP19A1CYP3A4NR1I2
SCHEMBL6571077 0.86 CYP11B1 (0.65) CYP11B1CYP11B2CYP19A1CYP3A4NR1I2
SCHEMBL332630 0.85 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1CYP3A4NR1I2
SCHEMBL25312529 0.85 CYP11B1 (0.73) CYP11B1CYP11B2CYP19A1CYP3A4NR1I2
SCHEMBL27491722 0.85 CYP11B1 (0.73) CYP11B1CYP11B2CYP19A1CYP3A4NR1I2
SCHEMBL7156136 0.83 CYP11B1 (0.80) CYP11B1CYP11B2CYP19A1CYP3A4NR1I2
SCHEMBL10894195 0.82 CYP19A1 (0.55) CYP11B1CYP11B2CYP19A1CYP3A4NR1I2
SCHEMBL9669708 0.81 CYP11B1 (0.67) CYP11B1CYP11B2CYP19A1CYP3A4NR1I2
SCHEMBL6569908 0.81 CYP11B1 (0.61) CYP11B1CYP11B2CYP19A1CYP3A4NR1I2
SCHEMBL12199510 0.80 CYP11B1 (0.89) CYP11B1CYP11B2CYP19A1CYP3A4NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11059795-B2 Androgen receptor modulators and methods for their use ESSA PHARMA, INC. (CA) 2021-07-13 US disclosed
US-20200247763-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2020-08-06 US disclosed
CN-1097052-C Process for prodn. of amidinoindole derivatives and salts thereof DAIICHI SEIYAKU CO (JP) 2002-12-25 CN disclosed
CN-1067998-C Hydrate for medicinal use DAIICHI PHARMACEUDTICAL CO LTD (JP) 2001-07-04 CN disclosed
CN-1062865-C Process for production of amidinobenzofuran and amidionbenzothiophen derivatives and salt thereof DAIICHI SEIYAKU CO (JP) 2001-03-07 CN disclosed
EP-0792879-B1 Process for preparing 3-[2-[4-(3-chloro-2-methylphenyl)-1-piperazinyl]ethyl]-5,6-dimethoxy-1-(4-imidazolylmethyl)-1H-indazole dihydrochloride 3.5 hydrate DAIICHI SEIYAKU CO (JP) 2001-02-28 EP disclosed
CN-1049654-C Piperazine derivatives DAIICHI SEIYAKU CO (JP) 2000-02-23 CN disclosed
CN-1049434-C Aromatic amidine derivatives and pharmaceutically acceptable salts thereof DAIICHI SEIYAKU CO (JP) 2000-02-16 CN disclosed
CN-1049219-C Fused heteroaromatic cyclopentene derivative having endothelin-antagonist activity BANYU PHARMA CO LTD (JP) 2000-02-09 CN disclosed
CN-1171786-A Hydrate for medicinal use DAIICHI SEIYAKU CO (JP) 1998-01-28 CN disclosed
CN-1168886-A Process for production of amidinobenzofuran and amidionbenzothiophen derivatives and salt thereof DAIICHI SEIYAKU CO (JP) 1997-12-31 CN disclosed
CN-1168885-A Process for prodn. of amidinoindole derivatives and salts thereof DAIICHI SEIYAKU CO (JP) 1997-12-31 CN disclosed
CN-1129448-A Fused heteroaromatic cyclopentene derivative having endothelin-antagonist activity BANYU PHARMA CO LTD (JP) 1996-08-21 CN disclosed
CN-1101039-A Piperazine derivatives DAIICHI SEIYAKU CO (JP) 1995-04-05 CN disclosed
CN-1072677-A Aromatic amidine derivative and salt thereof DAIICHI SEIYAKU CO (JP) 1993-06-02 CN 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 (2 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-20200247763-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE AR, NR5A1, CYP17A1 CYP11B1 9/4885CYP11B2 11/4885CYP19A1 15/4885
US-11059795-B2 Androgen receptor modulators and methods for their use AR, NR5A1, CYP17A1 CYP11B1 9/4885CYP11B2 11/4885CYP19A1 15/4885

“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.