SCHEMBL1810499

SCHEMBL1810499

Cc1nc2ccccc2n1-c1ccc(CN2CC[C@H](N3CCC[C@@H]3C)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 17/20 0.47
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ ADAM17 P78536 1/20 0.42
▸ CYP2D6 P10635 1/20 0.41
▸ CCR5 P51681 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
SCHEMBL1813464 0.86 HRH3 (0.63) HRH3MAPK1HTTKCNH2
SCHEMBL1809300 0.85 HRH3 (0.62) HRH3MAPK1HTTKCNH2
SCHEMBL1808788 0.81 DRD2 (0.41) HRH3HTT
SCHEMBL1813029 0.79 HRH3 (0.76) HRH3KCNH2
SCHEMBL1810788 0.79 HRH3 (0.76) HRH3KCNH2
SCHEMBL1815146 0.76 HRH3 (0.78) HRH3KCNH2
SCHEMBL4166236 0.70 MAPK1 (0.43) HRH3MAPK1HTTKCNH2ADAM17
SCHEMBL1811370 0.69 HRH3 (0.46) HRH3KCNH2
SCHEMBL7586080 0.68 CCR5 (0.67) MAPK1HTTCYP2D6CCR5
SCHEMBL1812799 0.68 HRH3 (0.56) HRH3KCNH2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935719-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2011-05-03 — — US claimed
US-20080119458-A1 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-05-22 — — US claimed
US-7935719-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2011-05-03 — — US disclosed
US-7935719-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2011-05-03 — — US disclosed
US-7935719-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2011-05-03 — — US disclosed
US-20080119458-A1 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-05-22 — — US disclosed
US-20080119458-A1 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-05-22 — — US disclosed
US-20080119458-A1 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-05-22 — — US disclosed
WO-2008045371-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-04-17 — — 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 (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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