SCHEMBL6079645

SCHEMBL6079645

COCC12CN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC(=O)N1CC1(CCN(Cc3ccccc3)CC1)CO2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
TSHR P16473 4/20 0.41
LMNA P02545 3/20 0.41
MAPK1 P28482 2/20 0.41
F10 P00742 3/20 0.41
USP2 O75604 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
KDM4E B2RXH2 3/20 0.39
TRPV4 Q9HBA0 1/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL6848537 0.92 F10 (0.40) ALDH1A1TSHRLMNAMAPK1F10
SCHEMBL6079034 0.92 F10 (0.41) ALDH1A1TSHRLMNAMAPK1F10
SCHEMBL6079173 0.90 F10 (0.46) ALDH1A1TSHRLMNAMAPK1F10
SCHEMBL6078359 0.88 ALDH1A1 (0.42) ALDH1A1TSHRLMNAMAPK1F10
Hydrochloric Acid SCHEMBL6079680 0.85 F10 (0.42) ALDH1A1TSHRF10KDM4EHSD17B10
SCHEMBL6079085 0.84 F10 (0.59) TSHRMAPK1F10CYP2D6CYP1A2
SCHEMBL6078643 0.81 F10 (0.41) ALDH1A1TSHRLMNAMAPK1F10
SCHEMBL6079366 0.81 F10 (0.49) ALDH1A1TSHRLMNAMAPK1F10
SCHEMBL4522849 0.80 F10 (0.58) ALDH1A1TSHRLMNAMAPK1F10
SCHEMBL6078825 0.80 F10 (0.52) ALDH1A1TSHRLMNAMAPK1F10

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 6 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
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 1517/4885TSHR 2844/4885LMNA 1834/4885
US-20030045520-A1 Tricyclic compound having spiro union F2, TFPI, F11 ALDH1A1 1073/4885TSHR 1480/4885LMNA 2818/4885
US-20050148769-A1 Tricyclic compound having spiro union TFPI, F2, F12 ALDH1A1 1791/4885TSHR 1389/4885LMNA 2300/4885

“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.