SCHEMBL2608581

SCHEMBL2608581

CC(=O)N1CC2(CCSCC2)c2ccccc21

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 10/20 0.80
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
AMPD2 Q01433 1/20 0.42
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HSD17B3 P37058 1/20 0.39
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NOX1 Q9Y5S8 1/20 0.38

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
SCHEMBL17446885 0.89 NOTUM (1.00) NOTUMKDM4EALDH1A1AMPD2HDAC1
SCHEMBL17446887 0.86 NOTUM (1.00) NOTUMKDM4EALDH1A1AMPD2HDAC1
SCHEMBL655024 0.82 NOTUM (0.80) NOTUMKDM4EALDH1A1AMPD2HDAC1
SCHEMBL9910961 0.82 NOTUM (0.80) NOTUMKDM4EALDH1A1AMPD2HDAC1
SCHEMBL12153230 0.81 NOTUM (0.78) NOTUMKDM4EALDH1A1AMPD2HDAC1
Hydrochloric Acid SCHEMBL2257588 0.81 NOTUM (0.78) NOTUMKDM4EALDH1A1AMPD2HDAC1
SCHEMBL1614374 0.81 NOTUM (0.52) NOTUMHSD17B3
SCHEMBL1223510 0.80 NOTUM (0.76) NOTUMHDAC1HDAC6
SCHEMBL17538386 0.79 NOTUM (0.74) NOTUMKDM4EALDH1A1AMPD2HDAC1
SCHEMBL13676986 0.79 NOTUM (0.74) NOTUMKDM4EALDH1A1HDAC1HDAC6

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-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 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-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 NOTUM 4008/4885KDM4E 1436/4885ALDH1A1 3735/4885

“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.