SCHEMBL8916079

SCHEMBL8916079

Cc1cccc(C(=O)N2CCN(Cc3ccccc3)CC2)c1

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.82
▸ L3MBTL1 Q9Y468 2/20 0.82
▸ LMNA P02545 2/20 0.82
▸ SMN1; SMN2 Q16637 2/20 0.82
▸ MEN1 O00255 1/20 0.82
▸ MAPK1 P28482 1/20 0.82
▸ KMT2A Q03164 1/20 0.82
▸ ALDH1A1 P00352 5/20 0.70
▸ KDM4E B2RXH2 3/20 0.70
▸ CHRM2 P08172 1/20 0.68
▸ CHRM3 P20309 1/20 0.68
▸ NPC1 O15118 1/20 0.66
▸ HTT P42858 2/20 0.62
▸ BLM P54132 1/20 0.62
▸ GAA P10253 1/20 0.62

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
SCHEMBL14632611 0.90 KDM4E (0.67) TSHRL3MBTL1LMNASMN1; SMN2MEN1
SCHEMBL1019998 0.85 KDM4E (0.94) TSHRL3MBTL1LMNASMN1; SMN2MEN1
SCHEMBL9645824 0.85 KDM4E (0.94) TSHRL3MBTL1LMNASMN1; SMN2MEN1
SCHEMBL12452433 0.85 ALDH1A1 (0.76) TSHRL3MBTL1LMNASMN1; SMN2MEN1
SCHEMBL14238822 0.84 HPGD (0.83) L3MBTL1ALDH1A1KDM4EHTT
SCHEMBL7130857 0.84 HPGD (0.83) L3MBTL1ALDH1A1KDM4EHTT
SCHEMBL22422558 0.84 CHRM2 (0.68) TSHRL3MBTL1LMNASMN1; SMN2MEN1
SCHEMBL12513597 0.83 MEN1 (0.64) TSHRL3MBTL1LMNASMN1; SMN2MEN1
SCHEMBL9513185 0.83 KMT2A (0.86) TSHRL3MBTL1LMNASMN1; SMN2MEN1
SCHEMBL14600380 0.83 MEN1 (0.76) TSHRL3MBTL1LMNASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 — — US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 — — US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 — — US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 — — US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 — — US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 — — US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 — — US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 — — US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 — — US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 — — US disclosed
US-7166603-B2 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 — — 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 (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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 TSHR 1585/4885L3MBTL1 502/4885LMNA 2721/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 TSHR 2239/4885L3MBTL1 533/4885LMNA 4340/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 TSHR 743/4885L3MBTL1 1465/4885LMNA 1091/4885

“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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