SCHEMBL31209211

SCHEMBL31209211

CCN1CCN([C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.37
HSD11B1 P28845 1/20 0.36
ALDH1A1 P00352 1/20 0.35
OPRK1 P41145 1/20 0.35
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL31209543 0.86 OPRK1 (0.33) PIK3CDALDH1A1OPRK1HSD17B10SMN1; SMN2
SCHEMBL31209540 0.86 CCR5 (0.33) PIK3CDOPRK1HSD17B10SMN1; SMN2
SCHEMBL31209595 0.85 HSD11B1 (0.36) HSD11B1OPRK1HSD17B10
SCHEMBL31209942 0.85 PRMT5 (0.33) ALDH1A1OPRK1HSD17B10
SCHEMBL31085807 0.85 HSD17B10 (0.36) OPRK1HSD17B10SMN1; SMN2HPGDCHRM2
SCHEMBL31085624 0.85 HSD17B10 (0.36) OPRK1HSD17B10SMN1; SMN2HPGDCHRM2
SCHEMBL31208605 0.85 HSD17B10 (0.36) OPRK1HSD17B10SMN1; SMN2HPGDCHRM2
SCHEMBL31085636 0.85 HSD17B10 (0.36) OPRK1HSD17B10SMN1; SMN2HPGDCHRM2
SCHEMBL33525545 0.84 HPGD (0.43) OPRK1HSD17B10SMN1; SMN2HPGDCHRM2
SCHEMBL33525876 0.84 HSD17B10 (0.41) OPRK1HSD17B10SMN1; SMN2HPGDCHRM2

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-20240368193-A1 KRAS INHIBITORS ELI LILLY AND COMPANY 2024-11-07 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-20240368193-A1 KRAS INHIBITORS KRAS, NRAS, HRAS PIK3CD 588/4885HSD11B1 2013/4885ALDH1A1 2134/4885

“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.