SCHEMBL29795102

SCHEMBL29795102

CCCCOC(=O)N1CCC(N2CCC(c3ccccc3)CC2)CC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 4/20 0.42
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
OPRL1 P41146 1/20 0.40
SIGMAR1 Q99720 4/20 0.40
CHRM4 P08173 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39

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
SCHEMBL24700396 0.81 NAMPT (0.45) SLC18A3KDM4EALDH1A1OPRL1
SCHEMBL8922008 0.78 CHRM4 (0.59) SLC18A3ALDH1A1CHRM4CHRM2CHRM5
SCHEMBL23124126 0.75 EPHX2 (0.47) SIGMAR1CHRM4
SCHEMBL4709679 0.73 PRMT5 (0.64) ALDH1A1CHRM4CHRM2CHRM5CHRM1
SCHEMBL30342380 0.73 SMN1; SMN2 (0.40) ALDH1A1CHRM2CHRM1
SCHEMBL31078692 0.72 LMNA (0.42) ALDH1A1
SCHEMBL23123390 0.72 SIGMAR1 (0.46) SIGMAR1CHRM4CHRM5
SCHEMBL23123277 0.71 NAMPT (0.45) CHRM4PRMT5WDR77
SCHEMBL30376833 0.70 SLC18A3 (0.43) SLC18A3KDM4EALDH1A1SIGMAR1CHRM4
SCHEMBL23201256 0.70 PRMT5 (0.44) SLC18A3CHRM4CHRM2CHRM5CHRM1

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-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
EP-4031540-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 EP 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 SLC18A3 2438/4885KDM4E 2486/4885ALDH1A1 1559/4885

“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.