SCHEMBL20936142

SCHEMBL20936142

C=C1CCCC(=O)N1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
ALDH1A1 P00352 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL508753 0.86 SMN1; SMN2 (0.36) SMN1; SMN2CYP2D6CYP2C9CHRM2CHRM4
SCHEMBL29348305 0.84
SCHEMBL718764 0.84 PIK3CD (0.41) PIK3CDSMN1; SMN2BRD4BRD2CYP2D6
SCHEMBL21278138 0.79 PIK3CD (0.41) PIK3CDSMN1; SMN2BRD4BRD2CYP2D6
SCHEMBL21500436 0.77 PIK3CD (0.40) PIK3CDSMN1; SMN2BRD4BRD2CYP2D6
SCHEMBL25470434 0.73
SCHEMBL1698550 0.73 SMN1; SMN2 (0.41) PIK3CDSMN1; SMN2BRD4BRD2CYP2D6
SCHEMBL29105088 0.71 SMN1; SMN2 (0.31) SMN1; SMN2CYP2D6CYP2C9
SCHEMBL21895773 0.71
SCHEMBL22268217 0.71 SMN1; SMN2 (0.36) PIK3CDSMN1; SMN2BRD4BRD2CYP2D6

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-20190119288-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARM INC (US) 2019-04-25 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-20190119288-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, SLC10A1, HDGF PIK3CD 1573/4885SMN1; SMN2 4688/4885BRD4 1026/4885

“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.