SCHEMBL3392834

SCHEMBL3392834

O=C(NC(c1ccc(F)cc1)c1ccc(F)cc1)N1CCN(CCCN2CCCC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.57
TSHR P16473 2/20 0.56
FAAH O00519 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
ALOX12 P18054 1/20 0.56
MAPK1 P28482 1/20 0.56
MTOR P42345 1/20 0.56
RAB9A P51151 1/20 0.56
MEN1 O00255 1/20 0.55
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ACHE P22303 2/20 0.48
CACNA1C Q13936 5/20 0.47
CACNA1F O60840 4/20 0.47
DRD5 P21918 4/20 0.47
HRH2 P25021 4/20 0.47
ADRA1D P25100 4/20 0.47

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
SCHEMBL3391260 0.99 HTT (0.56) HTTTSHRFAAHCYP3A4CYP2D6
SCHEMBL3396988 0.89 HTT (0.54) HTTTSHRFAAHCYP3A4CYP2D6
SCHEMBL3395382 0.87 HTT (0.57) HTTMEN1KMT2ACACNA1CCACNA2D1
SCHEMBL3395377 0.87 HTT (0.57) HTTTSHRFAAHCYP3A4CYP2D6
SCHEMBL3396198 0.86 HTT (0.56) HTTTSHRFAAHCYP3A4CYP2D6
SCHEMBL3396526 0.86 HTT (0.56) HTTMEN1KMT2ACACNA1CCACNA2D1
SCHEMBL3394392 0.85 TSHR (0.55) HTTTSHRFAAHCYP3A4CYP2D6
SCHEMBL3391930 0.85 HTT (0.56) HTTTSHRFAAHCYP3A4CYP2D6
SCHEMBL3558938 0.84 HTT (0.55) HTTTSHRFAAHCYP3A4CYP2D6
SCHEMBL3432018 0.81 HTT (0.80) HTTRAB9AMEN1KMT2ACACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784401-A4 UREA DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD (CA) 2009-07-15 EP claimed
EP-1784401-A1 UREA DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2007-05-16 EP claimed
US-20060063775-A1 Urea derivatives as calcium channel blockers NEUROMED TECHNOLOGIES INC. 2006-03-23 US claimed
WO-2006024160-A1 UREA DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2006-03-09 WO claimed
US-7659395-B2 Urea derivatives as calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2010-02-09 US disclosed
US-7659395-B2 Urea derivatives as calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2010-02-09 US disclosed
US-7659395-B2 Urea derivatives as calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2010-02-09 US disclosed
US-7649092-B2 Urea derivatives as calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2010-01-19 US disclosed
US-7649092-B2 Urea derivatives as calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2010-01-19 US disclosed
US-7649092-B2 Urea derivatives as calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2010-01-19 US disclosed
US-20080221117-A1 UREA DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2008-09-11 US disclosed
US-20080221117-A1 UREA DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2008-09-11 US disclosed
US-20080221117-A1 UREA DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2008-09-11 US disclosed
US-20080207633-A1 UREA DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2008-08-28 US disclosed
US-20080207633-A1 UREA DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2008-08-28 US disclosed
US-20080207633-A1 UREA DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2008-08-28 US disclosed
US-7378420-B2 Urea derivatives as calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2008-05-27 US disclosed
US-7378420-B2 Urea derivatives as calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2008-05-27 US disclosed
US-7378420-B2 Urea derivatives as calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2008-05-27 US disclosed
US-20060063775-A1 Urea derivatives as calcium channel blockers NEUROMED TECHNOLOGIES INC. 2006-03-23 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 (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-20080207633-A1 UREA DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ORAI1, ATP2A1, CACNA1B HTT 1333/4885TSHR 3579/4885FAAH 2377/4885
US-20060063775-A1 Urea derivatives as calcium channel blockers ORAI1, ATP2A1, CACNA1B HTT 1333/4885TSHR 3579/4885FAAH 2377/4885
US-20080221117-A1 UREA DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ORAI1, ATP2A1, CACNA1B HTT 1333/4885TSHR 3579/4885FAAH 2377/4885

“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.