SCHEMBL23345013

SCHEMBL23345013

COC1(C(C)(C)C)CCN(C(=O)C2CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
ALDH1A1 P00352 4/20 0.43
HSD11B1 P28845 2/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
CHRNB3 Q05901 1/20 0.42
CHRNA6 Q15825 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 1/20 0.37
PKM P14618 2/20 0.37

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
SCHEMBL23344999 0.79 CYP1A2 (0.39) HPGDALDH1A1SMN1; SMN2MAPK1TSHR
SCHEMBL23345012 0.77 CYP2C9 (0.46) ALDH1A1MAPK1TSHR
SCHEMBL24597132 0.77 HPGD (0.48) HPGDALDH1A1HSD11B1CHRNB2CHRNA3
SCHEMBL23995664 0.75 ALDH1A1 (0.37) HPGDALDH1A1SMN1; SMN2MAPK1TSHR
SCHEMBL23345000 0.73 ALDH1A1 (0.49) HPGDALDH1A1SMN1; SMN2MAPK1TSHR
SCHEMBL23345230 0.72 CYP4F2 (0.40) HPGDALDH1A1SMN1; SMN2MAPK1TSHR
SCHEMBL25810394 0.72 HPGD (0.56) HPGDALDH1A1HSD11B1CHRNB2CHRNA3
SCHEMBL21981354 0.69 HPGD (0.58) HPGDSMN1; SMN2RECQL
SCHEMBL31123039 0.69 SMN1; SMN2 (0.40) HPGDALDH1A1HSD11B1CHRNB2CHRNA3
SCHEMBL31316554 0.69 HPGD (0.58) HPGDSMN1; SMN2RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11168102-B1 Bicyclic heteroaryl compounds and uses thereof Revolution Medicines, Inc. (US) 2021-11-09 US disclosed
US-20210139517-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF Revolution Medicines, Inc. 2021-05-13 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 (2 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-11168102-B1 Bicyclic heteroaryl compounds and uses thereof SOS1, SOST, SOS2 HPGD 3441/4885ALDH1A1 3199/4885HSD11B1 211/4885
US-20210139517-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF SOST, SOS1, SOS2 HPGD 2501/4885ALDH1A1 3594/4885HSD11B1 1183/4885

“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.