SCHEMBL2641069

SCHEMBL2641069

COc1cccc2c1CC(=O)C2

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.50
DRD3 P35462 4/20 0.50
DRD1 P21728 1/20 0.50
DRD5 P21918 1/20 0.50
CYP1A2 P05177 1/20 0.46
ACHE P22303 1/20 0.46
HTR2A P28223 1/20 0.43
CHRM2 P08172 4/20 0.42
CHRM1 P11229 4/20 0.42
CHRM3 P20309 4/20 0.42
DRD4 P21917 2/20 0.41
NOTUM Q6P988 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL6907003 0.86 DRD2 (0.62) DRD2DRD3DRD1DRD5ACHE
SCHEMBL268506 0.85 DRD2 (0.49) DRD2DRD3DRD1DRD5ACHE
SCHEMBL29396439 0.85 DRD2 (0.49) DRD2DRD3DRD1DRD5ACHE
SCHEMBL266381 0.85 DRD2 (0.55) DRD2DRD3DRD1DRD5ACHE
SCHEMBL2061100 0.84 DRD2 (0.47) DRD2DRD3DRD1DRD5ACHE
SCHEMBL2061606 0.84 DRD2 (0.54) DRD2DRD3DRD1DRD5ACHE
SCHEMBL6901761 0.84 DRD2 (0.56) DRD2DRD3DRD1DRD5HTR2A
Ammonia Solution, Strong SCHEMBL3583671 0.84 DRD2 (0.61) DRD2DRD3DRD1DRD5HTR2A
SCHEMBL28263467 0.80 DRD2 (0.67) DRD2DRD3DRD1DRD5HTR2A
SCHEMBL6583999 0.79 KDM4E (0.52) CYP1A2ACHEMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242511-A1 FUSED PYRAZOLE AND IMIDAZOLE BASED COMPOUNDS AND USE THEREOF AS GLI1 INHIBITORS GLIXOGEN THERAPEUTICS LTD. (IL) 2023-08-03 US disclosed
US-20230242511-A1 FUSED PYRAZOLE AND IMIDAZOLE BASED COMPOUNDS AND USE THEREOF AS GLI1 INHIBITORS GLIXOGEN THERAPEUTICS LTD. (IL) 2023-08-03 US disclosed
WO-2023088406-A1 FUSED IMIDE DERIVATIVE 正大天晴药业集团股份有限公司 2023-05-25 WO disclosed
WO-2021229583-A1 FUSED PYRAZOLE AND IMIDAZOLE BASED COMPOUNDS AND USE THEREOF AS GLI1 INHIBITORS GLIXOGEN THERAPEUTICS LTD. (IL) 2021-11-18 WO disclosed
US-20170368028-A1 N-BENZOATE GROUP SUBSTITUTED BENZOPYRROLINE-2-ONE DERIVATIVE AND USE THEREOF Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2017-12-28 US disclosed
EP-2569277-B1 SUBSTITUTED 8-ALKOXY-2-AMINOTETRALIN DERIVATIVES, AND USE THEREOF BAYER IP GMBH (DE) 2015-07-22 EP disclosed
US-8673903-B2 Substituted 8-alkoxy-2-aminotetralin derivatives, and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-18 US disclosed
US-20130203751-A1 SUBSTITUTED 8-ALKOXY-2-AMINOTETRALIN DERIVATIVES, AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-08 US disclosed
EP-2569277-A1 SUBSTITUTED 8-ALKOXY-2-AMINOTETRALIN DERIVATIVES, AND USE THEREOF Bayer Intellectual Property GmbH (DE) 2013-03-20 EP disclosed
WO-2011141409-A1 SUBSTITUTED 8-ALKOXY-2-AMINOTETRALIN DERIVATIVES, AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 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 (3 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-20130203751-A1 SUBSTITUTED 8-ALKOXY-2-AMINOTETRALIN DERIVATIVES, AND USE THEREOF AADAT, TNNT2, TNNI3 DRD2 1081/4885DRD3 1624/4885DRD1 2199/4885
US-20170368028-A1 N-BENZOATE GROUP SUBSTITUTED BENZOPYRROLINE-2-ONE DERIVATIVE AND USE THEREOF RORC, RORB, RORA DRD2 4682/4885DRD3 3803/4885DRD1 4123/4885
US-20230242511-A1 FUSED PYRAZOLE AND IMIDAZOLE BASED COMPOUNDS AND USE THEREOF AS GLI1 INHIBITORS GLI1, SHH, GLI2 DRD2 3824/4885DRD3 3884/4885DRD1 3910/4885

“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.