SCHEMBL2540341

SCHEMBL2540341

N/C(CCc1ccc(Cl)cc1)=N\O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
HTR3A P46098 1/20 0.53
HTR3D Q70Z44 1/20 0.53
HTR3C Q8WXA8 1/20 0.53
TAAR1 Q96RJ0 3/20 0.48
IDO1 P14902 4/20 0.46
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
MAOB P27338 1/20 0.42
CYP2D6 P10635 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CTBP2 P56545 1/20 0.42
AOC3 Q16853 1/20 0.41
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41
PLAAT4 Q9UL19 1/20 0.41

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
SCHEMBL4941032 1.00 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16697877 0.80 TAAR1 (0.48) TAAR1IDO1GRIN1GRIN2BCYP2D6
SCHEMBL16697881 0.80 TAAR1 (0.48) TAAR1IDO1GRIN1GRIN2BCYP2D6
SCHEMBL18703985 0.79 TAAR1 (0.53) TAAR1IDO1PLAAT3PLAAT5PLAAT2
SCHEMBL18703992 0.79 HTR3E (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL18703983 0.79 TAAR1 (0.53) TAAR1IDO1PLAAT3PLAAT5PLAAT2
SCHEMBL18703991 0.79 HTR3E (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL641403 0.79 CTBP2 (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL14827527 0.79 CTBP2 (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1342676 0.79 GRIN1 (0.66) HTR3ATAAR1GRIN1GRIN2BMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 US disclosed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 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 (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-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1S, CACNA1D HTR3E 1113/4885HTR3B 635/4885HTR3A 875/4885

“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.