SCHEMBL3496109

SCHEMBL3496109

C[C@H]1CCCN1Cc1cnc(-c2ccc(Cn3cnc4ccccc43)cc2)n1C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.48
CYP11B2 P19099 6/20 0.48
HTT P42858 5/20 0.48
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPK1 P28482 1/20 0.44
TNF P01375 1/20 0.44
TSHR P16473 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HRH3 Q9Y5N1 8/20 0.41
ALDH1A1 P00352 2/20 0.41
ADRA2A P08913 1/20 0.40

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
SCHEMBL3496115 1.00 CYP11B1 (0.48) CYP11B1CYP11B2HTTLMNASMN1; SMN2
SCHEMBL3496656 0.84 CYP11B1 (0.54) CYP11B1CYP11B2HTTLMNASMN1; SMN2
SCHEMBL3497202 0.81 HRH3 (0.38) HRH3
SCHEMBL13165078 0.81 CYP11B1 (0.60) CYP11B1CYP11B2HTTLMNASMN1; SMN2
SCHEMBL3494308 0.81 CYP11B1 (0.60) CYP11B1CYP11B2HTTLMNASMN1; SMN2
SCHEMBL3496676 0.80 CYP11B1 (0.59) CYP11B1CYP11B2HTTLMNASMN1; SMN2
SCHEMBL3496682 0.79 CYP11B1 (0.48) CYP11B1CYP11B2HTTLMNASMN1; SMN2
SCHEMBL3498739 0.79 CYP11B1 (0.48) CYP11B1CYP11B2HTTLMNASMN1; SMN2
SCHEMBL3497660 0.79 CYP11B1 (0.48) CYP11B1CYP11B2HTTLMNASMN1; SMN2
SCHEMBL3497673 0.78 CYP11B1 (0.49) CYP11B1CYP11B2HTTLMNASMN1; SMN2

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-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US claimed
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 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-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH3, HRH2 CYP11B1 2926/4885CYP11B2 2281/4885HTT 775/4885

“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.