SCHEMBL19701969

SCHEMBL19701969

CC(C)N1[C@H](C)CN(C(=O)C(C)(C)O)C[C@@H]1C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.34
CYP2D6 P10635 1/20 0.34
KCNH2 Q12809 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
PDK2 Q15119 1/20 0.32
FASN P49327 1/20 0.31

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
SCHEMBL19710833 0.82 FASN (0.33) SMN1; SMN2PDK2FASN
SCHEMBL24767170 0.79 CYP2D6 (0.33) HRH3CYP2D6KCNH2FASN
SCHEMBL19698027 0.78 CHRNB2 (0.43) HRH3CYP2D6KCNH2SMN1; SMN2
SCHEMBL10140407 0.77 FASN (0.35) PDK2FASN
SCHEMBL20690383 0.77 NR1H2 (0.47) HRH3SMN1; SMN2
SCHEMBL20680690 0.77 NR1H2 (0.47) HRH3SMN1; SMN2
SCHEMBL20690384 0.77 NR1H2 (0.47) HRH3SMN1; SMN2
SCHEMBL21846683 0.76 CHRNB2 (0.52) SMN1; SMN2
SCHEMBL21541820 0.76 SMN1; SMN2 (0.34) HRH3SMN1; SMN2
SCHEMBL21541817 0.76 SMN1; SMN2 (0.34) HRH3SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 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-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS PIK3R3, JAK2, JAK3 HRH3 61/4885CYP2D6 1976/4885KCNH2 522/4885

“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.