SCHEMBL22472940

SCHEMBL22472940

COC(=O)N1C(C)CC(N2CCC3(CC2)CC3)CC1C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2D6 P10635 6/20 0.40
TSHR P16473 4/20 0.37
CYP3A4 P08684 6/20 0.35
CYP2C19 P33261 4/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
USP2 O75604 3/20 0.35
ALDH1A1 P00352 2/20 0.34
HIF1A Q16665 1/20 0.34
HCRTR2 O43614 1/20 0.32
HSD17B10 Q99714 3/20 0.32
HRH3 Q9Y5N1 2/20 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
SCHEMBL22472873 0.85 CHRM1 (0.39) MEN1MAPK1KMT2A
SCHEMBL22472925 0.82 CYP11B1 (0.34) CYP2C9CYP1A2CYP2D6CYP3A4HIF1A
SCHEMBL22449318 0.81 CYP2C9 (0.38) CYP2C9CYP1A2CYP2D6TSHRCYP3A4
SCHEMBL22472894 0.76 LMNA (0.36) CYP2D6TSHRKMT2A
SCHEMBL22472937 0.74 CHRM1 (0.55)
SCHEMBL22472939 0.72 BACE1 (0.46) ALDH1A1
SCHEMBL22472935 0.72 HPGD (0.47) TSHRMEN1KMT2AALDH1A1
SCHEMBL22472946 0.71 HCRTR2 (0.30) HCRTR2
SCHEMBL22472879 0.70 EPHX2 (0.39) CYP3A4KMT2AUSP2ALDH1A1HCRTR2
SCHEMBL25946338 0.69

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-10787447-B2 Pharmaceutical compounds HEPTARES THERAPEUTICS LIMITED (GB) 2020-09-29 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-10787447-B2 Pharmaceutical compounds CHRM1, CHRM2, CHRM4 CYP2C9 539/4885CYP1A2 364/4885CYP2D6 417/4885

“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.