SCHEMBL3395798

SCHEMBL3395798

CN1CCCC[C@H]1CN1CCN(Cc2ccccc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.54
SIGMAR1 Q99720 2/20 0.53
ACHE P22303 1/20 0.51
ADRA2A P08913 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
ADRA1A P35348 1/20 0.48
HRH1 P35367 1/20 0.48
ADRA1B P35368 1/20 0.48
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
CCR3 P51677 1/20 0.46

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
SCHEMBL3395802 1.00 MC4R (0.54) MC4RSIGMAR1ACHEADRA2ALMNA
SCHEMBL3393342 0.95 MC4R (0.56) MC4RSIGMAR1ACHELMNAPOLB
SCHEMBL3393340 0.95 MC4R (0.56) MC4RSIGMAR1ACHELMNAPOLB
SCHEMBL8176219 0.95 MC4R (0.56) MC4RSIGMAR1ACHELMNAPOLB
SCHEMBL13700887 0.78 CCR3 (0.57) SIGMAR1HTR1ACCR3
SCHEMBL2606119 0.78 ADRA2A (0.53) ADRA2A
SCHEMBL12568590 0.77 CYP1A2 (0.64) ADRA2A
SCHEMBL9733679 0.77 CYP1A2 (0.64) ADRA2A
SCHEMBL11470450 0.76 ADRA2A (0.51) ADRA2A
SCHEMBL25645586 0.76 ADRA2A (0.51) ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1784401-A4 UREA DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD (CA) 2009-07-15 EP 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
EP-1784401-A1 UREA DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2007-05-16 EP disclosed
US-20060063775-A1 Urea derivatives as calcium channel blockers NEUROMED TECHNOLOGIES INC. 2006-03-23 US disclosed
WO-2006024160-A1 UREA DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2006-03-09 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 (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 MC4R 4546/4885SIGMAR1 925/4885ACHE 309/4885
US-20060063775-A1 Urea derivatives as calcium channel blockers ORAI1, ATP2A1, CACNA1B MC4R 4546/4885SIGMAR1 925/4885ACHE 309/4885
US-20080221117-A1 UREA DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ORAI1, ATP2A1, CACNA1B MC4R 4546/4885SIGMAR1 925/4885ACHE 309/4885

“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.