SCHEMBL12269865

SCHEMBL12269865

CN1CCN(c2ncc(Br)c(O)c2N)CC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 7/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ NSD2 O96028 1/20 0.37
▸ PKM P14618 1/20 0.37

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
SCHEMBL2402476 0.85 HRH4 (0.50) HRH4SMN1; SMN2HRH3HTTNSD2
SCHEMBL18032425 0.83 HRH4 (0.48) HRH4SMN1; SMN2HRH3HTTNSD2
SCHEMBL12269655 0.76 SIRT6 (0.42) HRH4SMN1; SMN2HRH3HTT
SCHEMBL2405631 0.73 MAPT (0.45) HRH4HTT
SCHEMBL29969981 0.71 HRH4 (0.53) HRH4SMN1; SMN2HRH3HTT
SCHEMBL20605140 0.71 HRH4 (0.53) HRH4SMN1; SMN2HRH3HTT
SCHEMBL3146942 0.69 HRH4 (0.54) HRH4SMN1; SMN2
SCHEMBL10667948 0.68 KDM4E (0.64) HRH4HTTNSD2PKM
SCHEMBL2400809 0.68 HRH4 (0.52) HRH4SMN1; SMN2HRH3HTT
SCHEMBL4675955 0.67 HRH4 (0.56) HRH4SMN1; SMN2HRH3HTTNSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569300-B2 Substituted tetrazolo[1,5-A]pyrazine inhibitors of histamine receptors for the treatment of disease KALYPSYS INC. (US) 2013-10-29 — — US disclosed
US-8569300-B2 Substituted tetrazolo[1,5-A]pyrazine inhibitors of histamine receptors for the treatment of disease KALYPSYS INC. (US) 2013-10-29 — — US disclosed
US-20110237565-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-29 — — US disclosed
US-20110237565-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-29 — — 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-20110237565-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885SMN1; SMN2 4820/4885HRH3 2/4885

“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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