SCHEMBL1444765

SCHEMBL1444765

O=C(NCC1CCNCC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.49
▸ KCNH2 Q12809 1/20 0.46
▸ CACNA1I Q9P0X4 1/20 0.46
▸ USP30 Q70CQ3 1/20 0.46
▸ HDAC3 O15379 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ MTOR P42345 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ EPHX1 P07099 2/20 0.44
▸ CXCR3 P49682 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ EPHB4 P54760 1/20 0.42
▸ EPHX2 P34913 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
SCHEMBL14433885 0.90 MAPT (0.55) MAPTKCNH2CACNA1IUSP30MTOR
SCHEMBL1444131 0.82 LMNA (0.52) MAPTNPC1RAB9ALMNAEPHX2
Hydrochloric Acid SCHEMBL1445368 0.81 LMNA (0.51) MAPTNPC1RAB9ALMNAEPHX2
SCHEMBL1427824 0.81 KCNH2 (0.63) KCNH2CACNA1I
SCHEMBL1444640 0.80 EPHX1 (0.59) MAPTEPHX1CXCR3EPHX2
SCHEMBL17437611 0.80 SCN9A (0.54) MAPTKCNH2MTORLMNA
SCHEMBL17437608 0.80 SCN9A (0.54) MAPTKCNH2MTORLMNA
SCHEMBL1444611 0.77 LMNA (0.50) MAPTLMNA
SCHEMBL12005295 0.77 CXCR3 (0.46) KCNH2CACNA1IUSP30EPHX1CXCR3
SCHEMBL12005445 0.77 CXCR3 (0.46) KCNH2CACNA1IUSP30EPHX1CXCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120220564-A1 SELECTIVE CALCIUM CHANNEL MODULATORS ZALICUS PHARMACEUTICALS LTD. (CA) 2012-08-30 — — US disclosed
US-20120220564-A1 SELECTIVE CALCIUM CHANNEL MODULATORS ZALICUS PHARMACEUTICALS LTD. (CA) 2012-08-30 — — US disclosed
US-20120220564-A1 SELECTIVE CALCIUM CHANNEL MODULATORS ZALICUS PHARMACEUTICALS LTD. (CA) 2012-08-30 — — US disclosed
WO-2011032291-A1 SELECTIVE CALCIUM CHANNEL MODULATORS ZALICUS PHARMACEUTICALS LTD . (CA) 2011-03-24 — — WO disclosed
WO-2011032291-A1 SELECTIVE CALCIUM CHANNEL MODULATORS ZALICUS PHARMACEUTICALS LTD . (CA) 2011-03-24 — — WO 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-20120220564-A1 SELECTIVE CALCIUM CHANNEL MODULATORS CACNA1G, CACNA1I, CACNA1H MAPT 985/4885KCNH2 51/4885CACNA1I 2/4885

“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.

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