SCHEMBL13720770

SCHEMBL13720770

CN1CCN(c2n[nH]c(=O)c3ccccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 3/20 0.53
▸ HTR3E A5X5Y0 1/20 0.53
▸ HTR3B O95264 1/20 0.53
▸ HTR3D Q70Z44 1/20 0.53
▸ HTR3C Q8WXA8 1/20 0.53
▸ ENPP1 P22413 1/20 0.52
▸ HRH4 Q9H3N8 3/20 0.50
▸ ATM Q13315 1/20 0.50
▸ PARP1 P09874 2/20 0.49
▸ MAPK1 P28482 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ L3MBTL1 Q9Y468 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
SCHEMBL30417899 0.84 TSHR (0.63) ENPP1ATMPARP1ALDH1A1LMNA
SCHEMBL19951504 0.84 TSHR (0.63) ENPP1ATMPARP1ALDH1A1LMNA
SCHEMBL831675 0.83 ENPP1 (0.53) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL29688141 0.83 ENPP1 (0.53) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL13721430 0.81 PARP1 (0.53) ENPP1ATMPARP1MAPK1ALDH1A1
SCHEMBL13720327 0.81 ENPP1 (0.55) ENPP1ATMPARP1MAPK1ALDH1A1
SCHEMBL1545498 0.81 CDC7 (0.53) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL19951493 0.80 LMNA (0.51) ENPP1PARP1MAPK1ALDH1A1LMNA
SCHEMBL30418223 0.80 LMNA (0.51) ENPP1PARP1MAPK1ALDH1A1LMNA
SCHEMBL13720391 0.80 ALDH1A1 (0.60) ENPP1PARP1ALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859549-B2 Potassium channel modulators ABBVIE, INC. (US) 2014-10-14 — — US disclosed
WO-2012158399-A1 CONDENSED 2 - CARBAMOYLPYRIDAZINONES AS POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-11-22 — — WO disclosed
US-20120289500-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-11-15 — — 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-20120289500-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNJ2 HTR3A 1216/4885HTR3E 1886/4885HTR3B 883/4885

“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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