SCHEMBL31048153

SCHEMBL31048153

N[C@@H]1CCCN2CCC[C@H]12

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
THRB P10828 1/20 0.40
CYP2D6 P10635 3/20 0.36
LMNA P02545 1/20 0.36
SLC18A3 Q16572 2/20 0.34

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
SCHEMBL26439684 1.00 TDP1 (0.41) TDP1MEN1KMT2ATHRBCYP2D6
SCHEMBL30413301 1.00 TDP1 (0.41) TDP1MEN1KMT2ATHRBCYP2D6
SCHEMBL25746396 1.00 TDP1 (0.41) TDP1MEN1KMT2ATHRBCYP2D6
Hydrochloric Acid SCHEMBL25332412 0.97 TDP1 (0.40) TDP1MEN1KMT2ATHRBCYP2D6
Hydrochloric Acid SCHEMBL26094931 0.97 TDP1 (0.40) TDP1MEN1KMT2ATHRBCYP2D6
Hydrochloric Acid SCHEMBL25332416 0.97 TDP1 (0.40) TDP1MEN1KMT2ATHRBCYP2D6
SCHEMBL1697382 0.95 TDP1 (0.48) TDP1MEN1KMT2ATHRBCYP2D6
SCHEMBL20752154 0.95 TDP1 (0.48) TDP1MEN1KMT2ATHRBCYP2D6
Hydrochloric Acid SCHEMBL31021485 0.93 TDP1 (0.47) TDP1MEN1KMT2ATHRBCYP2D6
SCHEMBL3076098 0.92

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-20240279237-A1 FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2024-08-22 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-20240279237-A1 FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS NLRP3, NOD1, NLRP1 TDP1 964/4885MEN1 3585/4885KMT2A 2860/4885

“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.