SCHEMBL29619176

SCHEMBL29619176

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.41
MAPT P10636 2/20 0.41
GABRA5 P31644 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HTR2A P28223 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ROCK2 O75116 1/20 0.39
CREBBP Q92793 1/20 0.38
HTR2C P28335 2/20 0.38
ATM Q13315 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL29619049 0.94 PDE5A (0.43) PDE5AMAPTGABRA5SMN1; SMN2LMNA
SCHEMBL29619040 0.92 HTR2A (0.46) PDE5AMAPTGABRA5SMN1; SMN2LMNA
SCHEMBL29619030 0.91 GABRA5 (0.40) PDE5AMAPTGABRA5SMN1; SMN2LMNA
SCHEMBL29619009 0.89 GABRA5 (0.41) PDE5AMAPTGABRA5SMN1; SMN2LMNA
SCHEMBL31677804 0.88 PDE5A (0.43) PDE5AMAPTSMN1; SMN2HTR2AROCK2
SCHEMBL29619091 0.87 GABRA5 (0.46) PDE5AMAPTGABRA5SMN1; SMN2LMNA
SCHEMBL29619109 0.86 MAPT (0.44) PDE5AMAPTGABRA5SMN1; SMN2LMNA
SCHEMBL29619110 0.84 GABRA5 (0.40) PDE5AMAPTGABRA5SMN1; SMN2LMNA
SCHEMBL29619012 0.83 GABRA5 (0.41) PDE5AMAPTGABRA5SMN1; SMN2LMNA
SCHEMBL29619101 0.82 HTR2A (0.49) HTR2AHTR2C

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 PDE5A 607/4885MAPT 1759/4885GABRA5 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.