SCHEMBL23124241

SCHEMBL23124241

CN1CCN(c2cccc3c2C=CC(C)(C)N3)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.42
DRD3 P35462 4/20 0.42
ADRA2C P18825 1/20 0.41
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
EGFR P00533 1/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.39
HTR1A P08908 4/20 0.38
DRD4 P21917 2/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
PTK2B Q14289 1/20 0.35
NCF1 P14598 1/20 0.35
HTR3A P46098 2/20 0.35

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
SCHEMBL29789843 1.00 DRD2 (0.42) DRD2DRD3ADRA2CKMT2AMAPT
SCHEMBL29789716 0.84 L3MBTL1 (0.40) KMT2AMAPTLMNAMEN1KDM4E
SCHEMBL23124120 0.84 L3MBTL1 (0.40) KMT2AMAPTLMNAMEN1KDM4E
SCHEMBL29789752 0.71 KDM1A (0.34) KDM1A
SCHEMBL23123288 0.71 KDM1A (0.34) KDM1A
SCHEMBL23123294 0.69 SLC6A4 (0.42) DRD2LMNAHTR1ADRD4KDM4E
SCHEMBL29789784 0.69 SLC6A4 (0.42) DRD2LMNAHTR1ADRD4KDM4E
SCHEMBL23123741 0.69 KDM4E (0.44) ADRA2CKMT2AMAPTMAPK1MEN1
SCHEMBL23123339 0.69 DRD3 (0.42) DRD2DRD3ADRA2CKMT2AMAPT
SCHEMBL29789858 0.69 KDM4E (0.44) ADRA2CKMT2AMAPTMAPK1MEN1

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 3 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
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
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 DRD2 2779/4885DRD3 3760/4885ADRA2C 2833/4885

“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.