SCHEMBL1504064

SCHEMBL1504064

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.38
CYP46A1 Q9Y6A2 1/20 0.36
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
ABL1 P00519 3/20 0.34
DEGS1 O15121 2/20 0.33
F10 P00742 2/20 0.32
F2 P00734 1/20 0.32
F5 P12259 1/20 0.32
TRPA1 O75762 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
SCHEMBL4954432 0.90 RAB9A (0.43) OPRM1OPRL1
SCHEMBL1504138 0.89 L3MBTL1 (0.42) F10F2F5
SCHEMBL4955316 0.82 KCNQ3 (0.36) F10
SCHEMBL1503995 0.80 L3MBTL1 (0.44) F10F2F5
SCHEMBL12101136 0.77 F10 (0.39) GRM5CYP46A1OPRM1OPRL1DEGS1
SCHEMBL4260523 0.77 L3MBTL1 (0.41) F10F2F5
SCHEMBL1504053 0.77 F10 (0.43) GRM5CYP46A1ABL1F10F2
SCHEMBL2941002 0.77 F10 (0.43) GRM5CYP46A1ABL1F10F2
Hydrochloric Acid SCHEMBL3305337 0.77 F10 (0.38) GRM5CYP46A1OPRM1OPRL1DEGS1
SCHEMBL6891046 0.76 PRMT5 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
EP-2343290-A1 Diamine derivatives as factor X inhibitors Daiichi Sankyo Company, Limited (JP) 2011-07-13 EP disclosed
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 US disclosed
US-7342014-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-11 US disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 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 (4 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-20050020645-A1 Diamine derivatives C9, C1S, C1R GRM5 2219/4885CYP46A1 3584/4885OPRM1 468/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R GRM5 2219/4885CYP46A1 3584/4885OPRM1 468/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 GRM5 1573/4885CYP46A1 3469/4885OPRM1 3748/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R GRM5 2242/4885CYP46A1 3181/4885OPRM1 478/4885

“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.