SCHEMBL30901952

SCHEMBL30901952

CS(=O)(=O)c1ccc(-c2ccc(NC(=O)C3CC3c3ccccn3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.51
CYP3A4 P08684 4/20 0.50
CYP2C9 P11712 3/20 0.50
SCN3A Q9NY46 2/20 0.48
CYP2D6 P10635 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
ITK Q08881 1/20 0.46
IKBKB O14920 5/20 0.45
JAK2 O60674 5/20 0.45
TYK2 P29597 4/20 0.45
JAK3 P52333 4/20 0.45
ROCK1 Q13464 4/20 0.45
ROCK2 O75116 3/20 0.45
JAK1 P23458 3/20 0.45

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
SCHEMBL30901933 0.81 GPR88 (0.56) NAMPTSMN1; SMN2MEN1NPC1MAPT
SCHEMBL29730320 0.81 GPR88 (0.56) NAMPTSMN1; SMN2MEN1NPC1MAPT
SCHEMBL24543221 0.81 GPR88 (0.48) NAMPTSMN1; SMN2MEN1NPC1MAPT
SCHEMBL24543208 0.81 SMN1; SMN2 (0.48) NAMPTCYP3A4CYP2C9SCN3ACYP2D6
SCHEMBL29730103 0.81 GPR88 (0.56) NAMPTSMN1; SMN2MEN1NPC1MAPT
SCHEMBL24543201 0.81 GPR88 (0.56) NAMPTSMN1; SMN2MEN1NPC1MAPT
SCHEMBL30901934 0.81 GPR88 (0.48) NAMPTSMN1; SMN2MEN1NPC1MAPT
SCHEMBL29730170 0.81 SMN1; SMN2 (0.48) NAMPTCYP3A4CYP2C9SCN3ACYP2D6
SCHEMBL27202114 0.80 NAMPT (0.51) NAMPTCYP3A4CYP2C9SCN3ACYP2D6
SCHEMBL27202118 0.80 NAMPT (0.51) NAMPTCYP3A4CYP2C9SCN3ACYP2D6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132450-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 ACADIA PHARMACEUTICALS INC. 2024-04-25 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 (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-20240132450-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 GPR88, GPR65, GPR68 NAMPT 4122/4885CYP3A4 3834/4885CYP2C9 3582/4885

“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.