SCHEMBL29347386

SCHEMBL29347386

CC1CCCC2CC(CCC(C)CC1)C2N

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
NISCH Q9Y2I1 1/20 0.41

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
SCHEMBL22990165 0.82 MEN1 (0.36) MEN1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL12293155 0.82
SCHEMBL19456381 0.79 ALDH1A1 (0.44) TSHR
SCHEMBL18676350 0.79 ALDH1A1 (0.44) TSHR
SCHEMBL5071754 0.76 MEN1 (0.44) MEN1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL22133152 0.76 ALDH1A1 (0.32)
SCHEMBL25718008 0.76 ALDH1A1 (0.47) TSHR
SCHEMBL24268905 0.76
SCHEMBL19336911 0.75 ALDH1A1 (0.35)
SCHEMBL11014745 0.74 ALDH1A1 (0.47) TSHRKMT2A

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-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 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-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 KLK5, KLK1, KLKB1 MEN1 3113/4885CYP1A2 1053/4885CYP3A4 630/4885

“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.