SCHEMBL12101136

SCHEMBL12101136

CN(C)C(=O)[C@H]1CC[C@H](NC(=S)C(=O)Nc2ccc(F)cn2)[C@H](N)C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.39
F2 P00734 1/20 0.39
F5 P12259 1/20 0.39
GRM5 P41594 6/20 0.35
CYP46A1 Q9Y6A2 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
CCNT1 O60563 1/20 0.33
DEGS1 O15121 1/20 0.33
MAPT P10636 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32

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
Hydrochloric Acid SCHEMBL3305337 0.99 F10 (0.38) F10F2F5GRM5CYP46A1
SCHEMBL1504053 0.88 F10 (0.43) F10F2F5GRM5CYP46A1
SCHEMBL2941002 0.88 F10 (0.43) F10F2F5GRM5CYP46A1
SCHEMBL6362265 0.83 F10 (0.36) F10F2F5GRM5CYP46A1
SCHEMBL6362268 0.83 F10 (0.36) F10F2F5GRM5CYP46A1
SCHEMBL3302347 0.83 F10 (0.40) F10F2F5GRM5CYP46A1
SCHEMBL3302354 0.83 F10 (0.40) F10F2F5GRM5CYP46A1
SCHEMBL13394451 0.82 KCNQ3 (0.35) F10F2F5NPC1RAB9A
SCHEMBL13394448 0.82 F10 (0.36) F10F2F5
Hydrochloric Acid SCHEMBL4261107 0.81 F10 (0.36) F10F2F5

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
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-11-12 US disclosed
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-11-12 US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 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 (2 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 F10 152/4885F2 1/4885F5 52/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 F10 127/4885F2 3/4885F5 29/4885

“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.