SCHEMBL18933372

SCHEMBL18933372

c1cc(CN2CCCCC2)no1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 2/20 0.44
HRH4 Q9H3N8 1/20 0.42
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
MAPT P10636 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
AURKA O14965 1/20 0.39
DAPK3 O43293 1/20 0.39
ROCK2 O75116 1/20 0.39
CHEK2 O96017 1/20 0.39
CDK1 P06493 1/20 0.39
PRKACA P17612 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
SCHEMBL16044574 0.83 CXCR4 (0.58) HRH3NPC1RAB9AALDH1A1KMT2A
SCHEMBL1514703 0.81 CXCR4 (0.47) HRH3LMNAALDH1A1KMT2AMEN1
SCHEMBL30135243 0.78 CXCR4 (0.46) HRH3NPC1RAB9ALMNAALDH1A1
SCHEMBL22266226 0.76 DRD4 (0.56) LMNAALDH1A1KDM4EKMT2AMAPT
SCHEMBL18933370 0.75 CSNK1D (0.41) NPC1RAB9ALMNAALDH1A1KMT2A
SCHEMBL18933244 0.74 NPC1 (0.52) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL21664594 0.74 HTR7 (0.47) LMNAALDH1A1KDM4EKMT2AMEN1
SCHEMBL27474786 0.73 NPC1 (0.46) NPC1RAB9ALMNAALDH1A1KMT2A
SCHEMBL28212005 0.72 NPC1 (0.37) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL18157904 0.69 CXCR4 (0.66) HRH3HRH4ALDH1A1KDM4EMAPT

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-20230321067-A1 DOSING REGIMEN COMPRISING 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2023-10-12 US disclosed
EP-2758389-B1 PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2017-06-07 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-20230321067-A1 DOSING REGIMEN COMPRISING 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES IKZF1, IKZF2, IKZF3 HRH3 4828/4885NPC1 856/4885RAB9A 4131/4885

“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.