SCHEMBL18926698

SCHEMBL18926698

CC(C)CN1CCC2(CC1)CCN(CC(C)C)C2

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 15/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CYP3A4 P08684 13/20 0.47
USP2 O75604 8/20 0.47
TSHR P16473 5/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 5/20 0.46
ALDH1A1 P00352 3/20 0.44
ALOX15 P16050 1/20 0.43
CYP2C9 P11712 4/20 0.43
HIF1A Q16665 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL18212474 0.95 CYP2D6 (0.52) CYP2D6SMN1; SMN2CYP3A4USP2TSHR
SCHEMBL18926696 0.92 CYP3A4 (0.56) CYP2D6SMN1; SMN2CYP3A4USP2TSHR
SCHEMBL24751941 0.91 CYP3A4 (0.51) CYP2D6SMN1; SMN2CYP3A4USP2TSHR
SCHEMBL13400658 0.91 CYP3A4 (0.51) CYP2D6SMN1; SMN2CYP3A4USP2TSHR
SCHEMBL18926690 0.91 CYP2D6 (0.56) CYP2D6SMN1; SMN2CYP3A4USP2TSHR
SCHEMBL17285924 0.90 CYP2D6 (0.47) CYP2D6SMN1; SMN2CYP3A4USP2TSHR
SCHEMBL19969931 0.90 CYP3A4 (0.50) CYP2D6SMN1; SMN2CYP3A4USP2TSHR
SCHEMBL18926689 0.88 CYP2D6 (0.68) CYP2D6SMN1; SMN2CYP3A4USP2TSHR
SCHEMBL22878340 0.88 CYP2D6 (0.46) CYP2D6SMN1; SMN2CYP3A4USP2TSHR
SCHEMBL24847484 0.88 CYP2D6 (0.46) CYP2D6SMN1; SMN2CYP3A4USP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. 2017-06-08 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-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KRAS, HRAS, NRAS CYP2D6 4831/4885SMN1; SMN2 4055/4885CYP3A4 4863/4885

“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.