SCHEMBL786978

SCHEMBL786978

O=C(NC(c1ccccc1)C12CC(CN1)C2)c1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 5/20 0.55
CRHR1 P34998 10/20 0.44
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
ANO1 Q5XXA6 1/20 0.38

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
Hydrochloric Acid SCHEMBL787493 0.99 SLC6A9 (0.54) SLC6A9CRHR1ITGB1ITGA4JAK2
SCHEMBL4193318 0.90 SLC6A9 (0.56) SLC6A9CRHR1ITGB1ITGA4JAK2
SCHEMBL787020 0.82 SLC6A9 (0.58) SLC6A9MEN1MAPTKMT2A
SCHEMBL786813 0.81 SLC6A9 (0.60) SLC6A9
SCHEMBL787036 0.80 SLC6A9 (0.60) SLC6A9
Hydrochloric Acid SCHEMBL786873 0.80 SLC6A9 (0.59) SLC6A9
SCHEMBL786814 0.80 SLC6A9 (0.51) SLC6A9
SCHEMBL4185896 0.80 SLC6A9 (0.57) SLC6A9
SCHEMBL786971 0.79 SLC6A9 (0.64) SLC6A9
SCHEMBL786934 0.77 SLC6A9 (0.64) SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071536-A1 N-[(2-AZABICYCLO[2.1.1]HEX-1-YL)-ARYL-METHYL]-BENZAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-22 US claimed
US-20120071536-A1 N-[(2-AZABICYCLO[2.1.1]HEX-1-YL)-ARYL-METHYL]-BENZAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-22 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-20120071536-A1 N-[(2-AZABICYCLO[2.1.1]HEX-1-YL)-ARYL-METHYL]-BENZAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF HRH4, NT5C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 SLC6A9 3512/4885CRHR1 275/4885ITGB1 4094/4885

“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.