SCHEMBL4941766

SCHEMBL4941766

Cc1nc2ccccc2n1-c1ccc(C(=O)N2C[CH]CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 15/20 0.61
▸ MAPK1 P28482 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ KCNH2 Q12809 3/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ MGLL Q99685 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ HPGD P15428 1/20 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
SCHEMBL16150199 0.82 HRH3 (0.62) HRH3MAPK1HTTKCNH2HSD17B10
Hydrochloric Acid SCHEMBL16151108 0.81 HRH3 (0.61) HRH3MAPK1HTTKCNH2HSD17B10
SCHEMBL12655843 0.80 HRH3 (0.74) HRH3KCNH2MGLL
SCHEMBL4557128 0.79 HRH3 (0.73) HRH3KCNH2MGLL
SCHEMBL4557131 0.79 HRH3 (0.73) HRH3KCNH2MGLL
SCHEMBL16151156 0.79 HRH3 (0.58) HRH3MGLLALDH1A1HPGD
SCHEMBL16149777 0.78 HRH3 (0.57) HRH3MAPK1HTTKCNH2MGLL
SCHEMBL1812862 0.77 HRH3 (0.71) HRH3KCNH2
SCHEMBL3667518 0.77 HSD17B10 (0.72) HRH3MAPK1HTTKCNH2HSD17B10
SCHEMBL18355573 0.77 MAPK1 (0.66) HRH3MAPK1HTTKCNH2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119458-A1 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-05-22 — — 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-20080119458-A1 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS HNMT, HRH4, HRH3 HRH3 3/4885MAPK1 2641/4885HTT 378/4885

“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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