SCHEMBL25098486

SCHEMBL25098486

O=S(=O)(Nc1cccc([C@H]2CCCN2)c1)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.44
CHRNB2 P17787 2/20 0.42
CHRNA7 P36544 2/20 0.42
CHRNA4 P43681 2/20 0.42
MAP2K4 P45985 2/20 0.41
MAP2K7 O14733 1/20 0.41
BRD4 O60885 2/20 0.40
BRPF1 P55201 1/20 0.40
AAK1 Q2M2I8 2/20 0.39
HDAC4 P56524 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
KMT2A Q03164 2/20 0.38
HCRTR2 O43614 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 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
SCHEMBL22608971 0.78 OPRM1 (0.49) OPRM1MAP2K4MAP2K7BRD4
SCHEMBL26154173 0.78 OPRM1 (0.47) OPRM1MAP2K4MAP2K7BRD4BRPF1
SCHEMBL24369093 0.76 CHRNB2 (0.38) OPRM1CHRNB2CHRNA4MAP2K4MAP2K7
SCHEMBL2916758 0.74 KCNA5 (0.49) CHRNB2CHRNA7CHRNA4L3MBTL1POLB
SCHEMBL24233882 0.73 MEN1 (0.50) CHRNB2CHRNA7CHRNA4L3MBTL1MEN1
SCHEMBL25099264 0.72 SCN9A (0.46) CHRNB2CHRNA7CHRNA4
SCHEMBL24369696 0.72 SCN9A (0.46) CHRNB2CHRNA7CHRNA4
SCHEMBL2911688 0.71 CA2 (0.47) CHRNB2CHRNA7CHRNA4L3MBTL1MEN1
SCHEMBL17538757 0.71 CHRNB2 (0.46) CHRNB2CHRNA7CHRNA4L3MBTL1MEN1
SCHEMBL3088257 0.71 HTR6 (0.56) OPRM1MAP2K4MAP2K7BRPF1AAK1

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-20230077316-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2023-03-09 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-20230077316-A1 CTPS1 INHIBITORS AND USES THEREOF CTPS1, CTPS2, ECHS1 OPRM1 4784/4885CHRNB2 4726/4885CHRNA7 4678/4885

“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.