SCHEMBL18685657

SCHEMBL18685657

C[C@@H]1c2nccn2C[C@@H]1CC(C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30

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
SCHEMBL17413137 0.73 ADRA1A (0.36) ADRA1DADRA1A
SCHEMBL24936110 0.66
SCHEMBL15889956 0.65 ADRA1A (0.33) ADRA1DADRA1A
SCHEMBL15889955 0.63 ADRA1A (0.31) ADRA1DADRA1A
SCHEMBL15890083 0.63 ADRA1A (0.31) ADRA1DADRA1A
SCHEMBL27039175 0.63 ADRA1A (0.33) ADRA1DADRA1A
SCHEMBL15889974 0.63 ADRA1A (0.31) ADRA1DADRA1A
SCHEMBL19937611 0.63 ADRA1A (0.31) ADRA1DADRA1A
SCHEMBL15889962 0.63 ADRA1A (0.31) ADRA1DADRA1A
SCHEMBL15890085 0.63 ADRA1A (0.31) ADRA1DADRA1A

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-10028942-B2 3-substituted pyrazoles and uses thereof GENENTECH, INC. (US) 2018-07-24 US disclosed
US-20170087137-A1 3-SUBSTITUTED PYRAZOLES AND USES THEREOF GENENTECH, INC. (US) 2017-03-30 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 (2 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-20170087137-A1 3-SUBSTITUTED PYRAZOLES AND USES THEREOF PDXK, NLK, PDK3 ADRA1D 2380/4885ADRA1A 2877/4885
US-10028942-B2 3-substituted pyrazoles and uses thereof PDXK, NLK, PDK3 ADRA1D 2380/4885ADRA1A 2877/4885

“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.