SCHEMBL6078359

SCHEMBL6078359

COCC12CN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC(=O)N1CC1(CCN(Cc3ccccc3)CC1)O2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
LMNA P02545 3/20 0.42
TSHR P16473 3/20 0.42
MAPK1 P28482 2/20 0.42
F10 P00742 3/20 0.42
KDM4E B2RXH2 2/20 0.40
TRPV4 Q9HBA0 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL6079366 0.92 F10 (0.49) ALDH1A1LMNATSHRMAPK1F10
SCHEMBL6078643 0.91 F10 (0.41) ALDH1A1LMNATSHRMAPK1F10
SCHEMBL6079274 0.90 F10 (0.47) ALDH1A1LMNATSHRMAPK1F10
SCHEMBL6079539 0.88 ENPP2 (0.43) ALDH1A1LMNAF10KDM4ESMN1; SMN2
SCHEMBL6079645 0.88 ALDH1A1 (0.41) ALDH1A1LMNATSHRMAPK1F10
SCHEMBL4516479 0.88 ALDH1A1 (0.39) ALDH1A1LMNATSHRMAPK1KDM4E
SCHEMBL6854877 0.87 ALDH1A1 (0.42) ALDH1A1LMNATSHRMAPK1F10
SCHEMBL6078462 0.87 F10 (0.40) ALDH1A1LMNATSHRMAPK1F10
SCHEMBL4528724 0.87 F10 (0.44) F10
SCHEMBL7257489 0.86 LMNA (0.43) ALDH1A1LMNATSHRL3MBTL1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122662-B2 Tricyclic compound having spiro union MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2006-10-17 US disclosed
US-20050148769-A1 Tricyclic compound having spiro union MOCHIDA PHARMACEUTICAL CO., LTD. 2005-07-07 US disclosed
US-6858599-B2 Inhibitor for activated blood coagulation factor X MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2005-02-22 US disclosed
EP-1191028-B1 TRICYCLIC COMPOUNDS HAVING SPIRO UNION MOCHIDA PHARM CO LTD (JP) 2004-11-03 EP disclosed
US-20040063716-A1 Cholesterol biosynthesis inhibitors containing as the active ingredient tricyclic spiro compounds MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US disclosed
US-20030045520-A1 Tricyclic compound having spiro union MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2003-03-06 US disclosed
EP-1191028-A1 TRICYCLIC COMPOUNDS HAVING SPIRO UNION MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-03-27 EP 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-20040063716-A1 Cholesterol biosynthesis inhibitors containing as the active ingredient tricyclic spiro compounds VKORC1, CYP46A1, TFPI ALDH1A1 1517/4885LMNA 1834/4885TSHR 2844/4885
US-20030045520-A1 Tricyclic compound having spiro union F2, TFPI, F11 ALDH1A1 1073/4885LMNA 2818/4885TSHR 1480/4885
US-20050148769-A1 Tricyclic compound having spiro union TFPI, F2, F12 ALDH1A1 1791/4885LMNA 2300/4885TSHR 1389/4885

“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.