SCHEMBL29574226

SCHEMBL29574226

Cn1ccc(-c2cc(NC(=O)Nc3ccc(Cl)cc3)ccc2O)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.62
HTR2A P28223 4/20 0.58
HTR2C P28335 4/20 0.58
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
MAPT P10636 5/20 0.48
MAPK13 O15264 1/20 0.48
MAPK12 P53778 1/20 0.48
MAPK11 Q15759 1/20 0.48
MAPK14 Q16539 1/20 0.48
ATM Q13315 1/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
EPHX1 P07099 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CHRM1 P11229 1/20 0.47
SLC6A2 P23975 1/20 0.47
PDE4A P27815 1/20 0.47
EPHX2 P34913 1/20 0.47
ADRA1A P35348 1/20 0.47

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
SCHEMBL5056003 1.00 NPC1 (0.62) NPC1HTR2AHTR2CKMT2AMEN1
SCHEMBL3080697 0.83 KDM5A (0.55) NPC1KMT2AMEN1MAPTRAB9A
SCHEMBL366947 0.82 IDO1 (0.50) NPC1KMT2AMEN1MAPTHTT
SCHEMBL21807656 0.77 NPC1 (1.00) NPC1KMT2AMEN1MAPTMAPK13
SCHEMBL29573491 0.77 HTR2A (0.73) HTR2AHTR2CKMT2A
SCHEMBL1166246 0.77 HTR2A (0.73) HTR2AHTR2CKMT2A
SCHEMBL5063296 0.76 HTR2A (0.79) HTR2AHTR2CKMT2A
SCHEMBL14041176 0.74 HTR2A (0.76) HTR2AHTR2CKMT2AMEN1
SCHEMBL1166801 0.74 HTR2A (1.00) HTR2AHTR2C
SCHEMBL4345497 0.72 MEN1 (0.74) NPC1KMT2AMEN1MAPTHTT

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-20230277505-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2023-09-07 US disclosed
EP-4119141-A1 NELOTANSERIN FOR THE PROPHYLAXIS AND TREATMENT OF REM SLEEP BEHAVIOR DISORDER Axovant Sciences GmbH (CH) 2023-01-18 EP disclosed
US-11304932-B2 Diaryl and arylheteroaryl urea derivatives as modulators of the 5-HT2A serotonin receptor useful for the prophylaxis and treatment of hallucinations associated with a neurodegenerative disease AXOVANT SCIENCES GMBH (CH) 2022-04-19 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 (2 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-11304932-B2 Diaryl and arylheteroaryl urea derivatives as modulators of the 5-HT2A serotonin receptor useful for the prophylaxis and treatment of hallucinations associated with a neurodegenerative disease HTR2A, HTR5A, HTR1A NPC1 2519/4885HTR2A 1/4885HTR2C 4/4885
US-20230277505-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR2C NPC1 1606/4885HTR2A 2/4885HTR2C 3/4885

“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.