SCHEMBL1035190

SCHEMBL1035190

O=C(O)N(c1ccc([N+](=O)[O-])cc1)C1C2CC3CC(C2)CC1C3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
TLR9 Q9NR96 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CES1 P23141 2/20 0.38
CES2 O00748 1/20 0.37
SRD5A2 P31213 1/20 0.37
CYP3A4 P08684 1/20 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
SCHEMBL15514958 0.79 CXCR3 (0.40) KMT2AL3MBTL1CA1CA2CYP3A4
SCHEMBL2382981 0.77 CHRM2 (0.52) ALDH1A1CRHBPCRHR2MEN1KMT2A
SCHEMBL2383571 0.75 CHRM2 (0.50) ALDH1A1CRHBPCRHR2MEN1KMT2A
SCHEMBL2168956 0.70 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL29182467 0.69 ALDH1A1 (0.57) ALDH1A1CRHBPCRHR2MEN1KMT2A
Adamantane SCHEMBL28155099 0.68 POLB (0.68) ALDH1A1CRHBPCRHR2MEN1KMT2A
SCHEMBL11072781 0.66 ALDH1A1 (0.53) ALDH1A1CRHBPCRHR2MEN1KMT2A
SCHEMBL28171537 0.66 ALDH1A1 (0.53) ALDH1A1CRHBPCRHR2MEN1KMT2A
SCHEMBL1532324 0.66 ALDH1A1 (0.58) ALDH1A1CRHBPCRHR2MEN1KMT2A
SCHEMBL4696167 0.66 ALDH1A1 (0.53) ALDH1A1CRHBPCRHR2MEN1KMT2A

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-20110112062-A1 Carbamate And Urea Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 VITAE PHARMACEUTICALS, INC 2011-05-12 US disclosed
EP-2276730-A2 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2011-01-26 EP 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-20110112062-A1 Carbamate And Urea Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD3B1, HSD17B1 ALDH1A1 345/4885CRHBP 518/4885CRHR2 900/4885

“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.