SCHEMBL3338532

SCHEMBL3338532

NC1CC(COCc2ccccc2)C[C@H]1N

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSK P43235 1/20 0.49
TAAR1 Q96RJ0 1/20 0.47
NAAA Q02083 1/20 0.45
LMNA P02545 1/20 0.44
AGTR2 P50052 1/20 0.44
IDO1 P14902 1/20 0.43
KDM1A O60341 5/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
AGXT P21549 1/20 0.42

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
SCHEMBL764522 1.00 TSHR (0.52) TSHRCTSLCTSBCTSKTAAR1
SCHEMBL2941662 1.00 TSHR (0.52) TSHRCTSLCTSBCTSKTAAR1
SCHEMBL28923696 0.91 TSHR (0.50) TSHRCTSLCTSBCTSKTAAR1
SCHEMBL5006990 0.91 TSHR (0.50) TSHRCTSLCTSBCTSKTAAR1
SCHEMBL5006985 0.91 TSHR (0.50) TSHRCTSLCTSBCTSKTAAR1
SCHEMBL18631046 0.85 TSHR (0.52) TSHRCTSLCTSBCTSKTAAR1
SCHEMBL21297456 0.85 TSHR (0.52) TSHRCTSLCTSBCTSKTAAR1
SCHEMBL18631044 0.85 TSHR (0.52) TSHRCTSLCTSBCTSKTAAR1
SCHEMBL24207209 0.83 TSHR (0.50) TSHRCTSLCTSBCTSKTAAR1
SCHEMBL10467054 0.83 TSHR (0.50) TSHRCTSLCTSBCTSKTAAR1

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
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
EP-1405852-B1 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-08-01 EP disclosed
EP-1270557-B1 ETHYLENEDIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-07-25 EP disclosed
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 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 (1 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-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL TSHR 312/4885CTSL 1845/4885CTSB 1377/4885

“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.