SCHEMBL29619040

SCHEMBL29619040

CCN(CC)CCOc1ccc(NC(=O)C2CC2)cc1-c1c(C)noc1C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.46
HTR2C P28335 3/20 0.46
GABRA5 P31644 1/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MCHR1 Q99705 3/20 0.40
KDR P35968 3/20 0.40
KIT P10721 1/20 0.40
FLT3 P36888 1/20 0.40
PDE5A O76074 1/20 0.40
CREBBP Q92793 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
SCHEMBL29619176 0.92 PDE5A (0.41) HTR2AHTR2CGABRA5MAPTLMNA
SCHEMBL24398407 0.89 HTR2A (0.46) HTR2AHTR2CMCHR1KDRKIT
SCHEMBL29619049 0.89 PDE5A (0.43) HTR2AGABRA5MAPTLMNASMN1; SMN2
SCHEMBL29619109 0.89 MAPT (0.44) HTR2AGABRA5MAPTLMNASMN1; SMN2
SCHEMBL29619009 0.88 GABRA5 (0.41) HTR2AGABRA5MAPTLMNASMN1; SMN2
SCHEMBL29619110 0.88 GABRA5 (0.40) HTR2AHTR2CGABRA5MAPTLMNA
SCHEMBL31678061 0.88 HTR2A (0.46) HTR2AHTR2CMCHR1KDRKIT
SCHEMBL29619091 0.88 GABRA5 (0.46) HTR2AGABRA5MAPTLMNASMN1; SMN2
SCHEMBL29619030 0.86 GABRA5 (0.40) HTR2AGABRA5MAPTLMNASMN1; SMN2
SCHEMBL29619012 0.83 GABRA5 (0.41) HTR2AHTR2CGABRA5MAPTLMNA

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-20240376090-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERED RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2024-11-14 US disclosed
EP-4236942-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2023-09-06 EP disclosed
WO-2022093850-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2022-05-05 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-20240376090-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERED RELATED THERETO HTR2A, HTR5A, HTR1A HTR2A 1/4885HTR2C 4/4885GABRA5 40/4885

“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.