SCHEMBL13336173

SCHEMBL13336173

COCCCN1CCN(CCC(=O)c2cccc(C(C)(C)C)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ DRD4 P21917 5/20 0.45
▸ DRD2 P14416 2/20 0.45
▸ HTR1A P08908 5/20 0.45
▸ HTR7 P34969 3/20 0.45
▸ CYP2J2 P51589 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ SLC6A3 Q01959 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
SCHEMBL13155340 0.85 ACHE (0.55) ACHEALDH1A1MAPT
SCHEMBL14259264 0.84 HRH2 (0.52) DRD4DRD2HTR1ASLC6A4SLC6A3
SCHEMBL13155313 0.84 ALDH1A1 (0.60) ACHEALDH1A1LMNAMAPTHTT
SCHEMBL13155271 0.83 ALDH1A1 (0.62) ACHEALDH1A1LMNAMAPTHTT
SCHEMBL13362469 0.82 DRD4 (0.46) DRD4DRD2HTR1ASLC6A4SLC6A3
SCHEMBL13155199 0.81 ALDH1A1 (0.64) ACHEALDH1A1LMNAMAPTHTT
SCHEMBL17549653 0.74 SLC6A4 (0.68) ALDH1A1MAPTHTR1ASLC6A4SLC6A3
SCHEMBL24171802 0.72 ACHE (0.43) ACHEALDH1A1LMNASMN1; SMN2
SCHEMBL16775747 0.71 ACHE (0.68) ACHEALDH1A1SMN1; SMN2
SCHEMBL15317679 0.71 MAPT (0.65) ALDH1A1LMNAGAAMAPTMAPK1

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 ACHE 1917/4885ALDH1A1 302/4885LMNA 3419/4885
US-20090054514-A1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS ETV6, MKI67, PAH ACHE 4882/4885ALDH1A1 330/4885LMNA 3286/4885

“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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