SCHEMBL31414907

SCHEMBL31414907

O=C(NCC12CC(C1)C2)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.56
BCL9 O00512 1/20 0.46
CTNNB1 P35222 1/20 0.46
FAAH O00519 2/20 0.46
TRPV1 Q8NER1 1/20 0.46
GAA P10253 2/20 0.44
PKM P14618 2/20 0.44
HTR2A P28223 1/20 0.43
THRB P10828 1/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
EPHX2 P34913 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MYOC Q99972 1/20 0.40

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
SCHEMBL25381206 0.81 MGLL (0.56) MGLLBCL9CTNNB1FAAHTRPV1
SCHEMBL18703462 0.79 MGLL (0.78) MGLLBCL9CTNNB1FAAHTRPV1
SCHEMBL26608037 0.79 EPHX2 (0.57) MGLLBCL9CTNNB1GAAPKM
SCHEMBL31414904 0.78 MGLL (0.53) MGLLBCL9CTNNB1FAAHTRPV1
SCHEMBL31715825 0.78 MGLL (0.59) MGLLBCL9CTNNB1FAAHTRPV1
SCHEMBL3398600 0.77 MGLL (0.65) MGLLBCL9CTNNB1FAAHTRPV1
SCHEMBL19412173 0.77 MGLL (0.84) MGLLBCL9CTNNB1FAAHTRPV1
4-Nitrophenyl Ethylcarbamate SCHEMBL1695035 0.77 MGLL (0.74) MGLLBCL9CTNNB1FAAHTRPV1
SCHEMBL31715409 0.76 ALDH1A1 (0.57) MGLLBCL9CTNNB1FAAHTRPV1
SCHEMBL31715640 0.76 MGLL (0.56) MGLLBCL9CTNNB1FAAHTRPV1

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
WO-2025226892-A1 SPIROCYCLE-CONTAINING DIAMINOMETHYLENE PYRIMIDINE-2,4,6-TRIONE AGONISTS OF PARATHYROID HORMONE 1 AND INCRETIN RECEPTORS SEPTERNA, INC. (US) 2025-10-30 WO disclosed
US-20250026745-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF MIRUM PHARMACEUTICALS, INC. 2025-01-23 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-20250026745-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF HSD17B13, HSD17B1, HSD17B3 MGLL 292/4885BCL9 3615/4885CTNNB1 459/4885

“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.