SCHEMBL3393342

SCHEMBL3393342

CN1CCCC1CN1CCN(Cc2ccccc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.56
SIGMAR1 Q99720 2/20 0.55
ACHE P22303 1/20 0.53
ADRA1A P35348 1/20 0.52
HRH1 P35367 1/20 0.52
ADRA1B P35368 1/20 0.52
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
HTR6 P50406 6/20 0.49
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49

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
SCHEMBL8176219 1.00 MC4R (0.56) MC4RSIGMAR1ACHEADRA1AHRH1
SCHEMBL3393340 1.00 MC4R (0.56) MC4RSIGMAR1ACHEADRA1AHRH1
SCHEMBL3395798 0.95 MC4R (0.54) MC4RSIGMAR1ACHEADRA1AHRH1
SCHEMBL3395802 0.95 MC4R (0.54) MC4RSIGMAR1ACHEADRA1AHRH1
SCHEMBL13700887 0.82 CCR3 (0.57) SIGMAR1HTR1A
SCHEMBL12786272 0.80 CYP1A2 (0.50) HTR6
SCHEMBL2947772 0.78 MC4R (0.58) MC4RSIGMAR1ACHEADRA1AHRH1
SCHEMBL2947770 0.78 MC4R (0.58) MC4RSIGMAR1ACHEADRA1AHRH1
SCHEMBL3764570 0.77 HTR6 (0.54) HTR6
SCHEMBL16488227 0.77 HTR6 (0.54) HTR6

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-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-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-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
US-6156752-A Optically active 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER INC (US) 2000-12-05 US disclosed
EP-0899261-A1 Optical active 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER INC. (US) 1999-03-03 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 (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.