SCHEMBL24700271

SCHEMBL24700271

CC1CCC(N2CCCCC2)CN1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.44
DPP4 P27487 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL3 Q96JM7 4/20 0.31
L3MBTL1 Q9Y468 3/20 0.31
HRH3 Q9Y5N1 1/20 0.30
OPRL1 P41146 1/20 0.30
MBTD1 Q05BQ5 3/20 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
Hydrochloric Acid SCHEMBL23124068 0.98 HTR6 (0.42) HTR6DPP4CYP2D6CYP2C19L3MBTL3
SCHEMBL12522680 0.81 ADRA1A (0.33) HTR6
SCHEMBL12522594 0.81 ADRA1A (0.33) HTR6
SCHEMBL16015163 0.78 DPP4 (0.39) HTR6DPP4
SCHEMBL22820393 0.78 HTR6 (0.47) HTR6CYP2D6
SCHEMBL10073208 0.75 HTR6 (0.39) HTR6
SCHEMBL26767154 0.75 HTR6 (0.39) HTR6
SCHEMBL597625 0.75 HTR6 (0.39) HTR6
SCHEMBL2801366 0.75 HTR6 (0.39) HTR6
SCHEMBL14395626 0.75 HTR6 (0.39) HTR6

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-20220380314-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 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-20220380314-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GBA2, CLN6 HTR6 1493/4885DPP4 2889/4885CYP2D6 1740/4885

“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.