SCHEMBL13155340

SCHEMBL13155340

CN1CCN(CCC(=O)c2cccc(C(C)(C)C)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.55
▸ KMT2A Q03164 6/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.48
▸ GFER P55789 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ THRA P10827 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ TSHR P16473 2/20 0.45
▸ CHRM3 P20309 1/20 0.45

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
SCHEMBL13155313 0.90 ALDH1A1 (0.60) ACHEKMT2AMEN1ALDH1A1GFER
SCHEMBL13155271 0.89 ALDH1A1 (0.62) ACHEKMT2AMEN1ALDH1A1GFER
SCHEMBL13155199 0.87 ALDH1A1 (0.64) ACHEKMT2AMEN1ALDH1A1MAPT
SCHEMBL13336173 0.85 ACHE (0.48) ACHEALDH1A1MAPT
Hydrochloric Acid SCHEMBL7932166 0.81 L3MBTL1 (0.62) KMT2AALDH1A1GFERMAPTTSHR
Hydrochloric Acid SCHEMBL7922495 0.80 ALDH1A1 (0.61) KMT2AALDH1A1GFERMAPTTSHR
Hydrochloric Acid SCHEMBL7929060 0.80 HTR1A (0.53) KMT2AMEN1ALDH1A1GFERMAPT
SCHEMBL13181422 0.80 THRA (0.49) ACHEKMT2AALDH1A1GFERMAPT
SCHEMBL3893679 0.79 KMT2A (0.73) KMT2AALDH1A1GFERMAPT
Hydrochloric Acid SCHEMBL7932173 0.78 KMT2A (0.73) KMT2AALDH1A1GFERMAPTTSHR

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-7803956-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2010-09-28 — — US disclosed
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-7659412-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER HEALTHCARE LLC (US) 2010-02-09 — — US disclosed
US-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-11-26 — — 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-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-01-22 — — US disclosed
US-7420066-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-02 — — 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
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 (4 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-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 ACHE 4883/4885KMT2A 1762/4885MEN1 1947/4885
US-20100125073-A1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF CANCERS OF THE CENTRAL NERVOUS SYSTEM BCOR, BRDT, TPMT ACHE 1917/4885KMT2A 816/4885MEN1 393/4885
US-20090054514-A1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS ETV6, MKI67, PAH ACHE 4882/4885KMT2A 1353/4885MEN1 2175/4885
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 ACHE 4883/4885KMT2A 1762/4885MEN1 1947/4885

“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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