SCHEMBL5580192

SCHEMBL5580192

NC(=O)C1(C(=O)NO)CC2CCC1C2

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
CRHBP P24387 1/20 0.31
HTT P42858 1/20 0.31
CRHR2 Q13324 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
HSD11B1 P28845 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL27603731 0.85 HSD11B1 (0.34) ALDH1A1HSD11B1TSHR
SCHEMBL3688895 0.71 HSD11B1 (0.35) HSD11B1
SCHEMBL2761577 0.71 HSD11B1 (0.38) HSD11B1
SCHEMBL28770909 0.70 HSD11B1 (0.37) HSD11B1
SCHEMBL27660399 0.70 HSD11B1 (0.37) HSD11B1
SCHEMBL9457723 0.68 THRB (0.35) ALDH1A1HSD11B1TSHR
SCHEMBL29111144 0.68 HSD11B1 (0.33) HSD11B1
SCHEMBL4449262 0.68 HSD11B1 (0.33) ALDH1A1HSD11B1TSHR
SCHEMBL14479562 0.68 SCN1A (0.37)
SCHEMBL27948270 0.66 HSD11B1 (0.33) ALDH1A1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275911-A1 Targeted Drug-Formaldehyde Conjugates and Methods of Making and Using the Same THE REGENTS OF THE UNIVERSITY OF COLORADO 2007-11-29 US disclosed
WO-2005034856-A2 TARGETED DRUG-FORMALDEHYDE CONJUGATES AND METHODS OF MAKING AND USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2005-04-21 WO disclosed
US-4213974-A ANTIBACTERIAL ABBOTT LABORATORIES (US) 1980-07-22 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-20070275911-A1 Targeted Drug-Formaldehyde Conjugates and Methods of Making and Using the Same HCAR1, DHFR, FOLR1 ALDH1A1 94/4885CRHBP 2087/4885HTT 3543/4885

“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.