SCHEMBL13362469

SCHEMBL13362469

CCc1cccc(C(=O)CCN2CCN(CCCOC)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 5/20 0.46
▸ DRD2 P14416 2/20 0.46
▸ HRH2 P25021 3/20 0.46
▸ HRH1 P35367 3/20 0.46
▸ HTR1A P08908 2/20 0.45
▸ SLC6A4 P31645 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ THRA P10827 1/20 0.44
▸ THRB P10828 1/20 0.44

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
SCHEMBL14259264 0.85 HRH2 (0.52) DRD4DRD2HRH2HRH1HTR1A
SCHEMBL13181422 0.85 THRA (0.49) HTR1ATHRATHRB
SCHEMBL13181454 0.83 ALDH1A1 (0.61) DRD4HRH2HRH1SLC6A3KDM4E
SCHEMBL13336173 0.82 ACHE (0.48) DRD4DRD2HTR1ASLC6A4SLC6A3
SCHEMBL13181438 0.82 ALDH1A1 (0.64) DRD4HRH2HRH1SLC6A3THRB
SCHEMBL13818530 0.80 ALDH1A1 (0.54) DRD4DRD2HRH2HRH1SLC6A3
SCHEMBL13181456 0.80 ALDH1A1 (0.66) THRATHRB
SCHEMBL7387492 0.77 DRD4 (0.47) DRD4DRD2HRH2HRH1KDM4E
SCHEMBL17549653 0.75 SLC6A4 (0.68) HTR1ASLC6A4SLC6A3
SCHEMBL18499767 0.72 HSD17B3 (0.51) THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100125073-A1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF CANCERS OF THE CENTRAL NERVOUS SYSTEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 — — US disclosed
US-7585888-B2 Benzofuran and benzothiophene derivatives useful in the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2009-09-08 — — US disclosed
US-20090054514-A1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-02-26 — — US disclosed
US-7351735-B2 Benzofuran and benzothiophene derivatives useful in the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2008-04-01 — — 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 (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-20100125073-A1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF CANCERS OF THE CENTRAL NERVOUS SYSTEM BCOR, BRDT, TPMT DRD4 2972/4885DRD2 3801/4885HRH2 2829/4885
US-20090054514-A1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS ETV6, MKI67, PAH DRD4 2194/4885DRD2 3484/4885HRH2 1601/4885

“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.

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