SCHEMBL31743133

SCHEMBL31743133

Cn1ccc2cc(-c3cccnc3)ccc2c1=O

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 2/20 0.71
▸ CYP11B2 P19099 10/20 0.52
▸ CYP11B1 P15538 9/20 0.52
▸ CYP19A1 P11511 7/20 0.49
▸ ERN1 O75460 1/20 0.49
▸ CYP17A1 P05093 4/20 0.49
▸ HTR1D P28221 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ PGR P06401 1/20 0.45
▸ METAP2 P50579 1/20 0.45

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
SCHEMBL31743082 0.82 GRM2 (0.49) GRM2CYP19A1METAP2
SCHEMBL12059121 0.82 BRD4 (0.51) GRM2
SCHEMBL29809484 0.82 BRD4 (0.51) GRM2
SCHEMBL16651514 0.82 GRM2 (0.49) GRM2
SCHEMBL23187978 0.80 CYP11B2 (0.64) GRM2CYP11B2CYP11B1CYP19A1CYP17A1
SCHEMBL31743111 0.78 PDE10A (0.46) GRM2
SCHEMBL31006551 0.78 GRM2 (0.73) GRM2CYP11B2CYP11B1CYP19A1ERN1
SCHEMBL29283802 0.78 GRM2 (0.73) GRM2CYP11B2CYP11B1CYP19A1ERN1
SCHEMBL31006541 0.77 GRM2 (0.69) GRM2CYP11B2CYP11B1CYP19A1ERN1
SCHEMBL29283804 0.77 GRM2 (0.69) GRM2CYP11B2CYP11B1CYP19A1ERN1

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-12496297-B1 Compositions of autophagy modulating agents and uses thereof WASHINGTON UNIVERSITY (US) 2025-12-16 — — 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-12496297-B1 Compositions of autophagy modulating agents and uses thereof BECN1, TFEB, ATG7 GRM2 850/4885CYP11B2 1536/4885CYP11B1 1421/4885

“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.

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