SCHEMBL23123716

SCHEMBL23123716

CC1(C)CN(C(=O)OCc2ccccc2)CC(=O)N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HTR2C P28335 2/20 0.46
CYP2C19 P33261 1/20 0.45
TMEM97 Q5BJF2 5/20 0.44
SIGMAR1 Q99720 5/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
DRD1 P21728 1/20 0.44
HRH2 P25021 1/20 0.44
HTR1B P28222 1/20 0.44
HTR2A P28223 1/20 0.44

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
SCHEMBL26093161 0.80 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AGAAMAPK1
SCHEMBL1189701 0.80 MEN1 (0.51) SMN1; SMN2NPC1RAB9AGAAMAPK1
SCHEMBL8522162 0.80 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AGAAMAPK1
SCHEMBL34473830 0.78 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AGAAMAPK1
SCHEMBL6922140 0.78 TSHR (0.51) GAAMEN1KMT2ANPSR1
SCHEMBL3983032 0.78 MEN1 (0.49) SMN1; SMN2NPC1RAB9AGAAMAPK1
SCHEMBL4172323 0.78 MEN1 (0.49) SMN1; SMN2NPC1RAB9AGAAMAPK1
SCHEMBL21635212 0.78 MEN1 (0.52) SMN1; SMN2NPC1RAB9AGAAMAPK1
SCHEMBL4172318 0.78 MEN1 (0.49) SMN1; SMN2NPC1RAB9AGAAMAPK1
SCHEMBL92518 0.77 L3MBTL1 (0.56) SMN1; SMN2NPC1RAB9AGAAMAPK1

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 5 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
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
CN-114901652-A Substituted saturated and unsaturated N-heterocyclic carboxamides and related compounds for the treatment of medical disorders 比亚尔R&D投资股份公司 2022-08-12 CN 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
WO-2021055630-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL- BIOTECH INVESTMENTS, INC. (US) 2021-03-25 WO 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 SMN1; SMN2 66/4885NPC1 20/4885RAB9A 2991/4885

“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.