SCHEMBL25920033

SCHEMBL25920033

CC(=O)N1CC2(CCCN(C(C)C)C2=O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
CYP3A4 P08684 8/20 0.35
CYP2D6 P10635 7/20 0.35
TSHR P16473 4/20 0.35
CYP2C19 P33261 4/20 0.35
CYP1A2 P05177 3/20 0.35
USP2 O75604 2/20 0.35
CYP2C9 P11712 2/20 0.35
ACACB O00763 2/20 0.34
ACACA Q13085 2/20 0.34
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LIPE Q05469 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.31
NOTUM Q6P988 1/20 0.31

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
SCHEMBL23342003 0.86 ACACB (0.34) ACACBACACALIPENOTUM
SCHEMBL25912761 0.84 ALDH1A1 (0.39) ACACBACACAALDH1A1
SCHEMBL17118711 0.83 CYP3A4 (0.38) SMN1; SMN2CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL23342004 0.78 ACACB (0.38) ACACBACACALIPE
SCHEMBL23338590 0.76 ACACB (0.33) ACACBACACANOTUM
SCHEMBL20420099 0.74 ACACB (0.33) CYP2D6ACACBACACA
SCHEMBL25912482 0.74 ALDH1A1 (0.41) ACACBACACAALDH1A1ALOX15
SCHEMBL3497329 0.73 USP30 (0.47) SMN1; SMN2CYP2D6TSHRCYP1A2USP2
SCHEMBL24339060 0.73 GRIN2B (0.37) SMN1; SMN2CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL18806202 0.72 HRH3 (0.36) CYP1A2

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-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 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-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS KRAS, HRAS, MTOR SMN1; SMN2 1139/4885CYP3A4 4873/4885CYP2D6 4714/4885

“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.