SCHEMBL21316613

SCHEMBL21316613

CCC(=O)c1ccc(CN)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HCAR3 P49019 4/20 0.38
▸ ATM Q13315 1/20 0.37
▸ RAB9A P51151 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NNMT P40261 3/20 0.35
▸ GABRP O00591 1/20 0.35
▸ GABRD O14764 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRB1 P18505 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA5 P31644 1/20 0.35

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
SCHEMBL10066762 0.85 MAPT (0.44) MAPTSMN1; SMN2L3MBTL1KDM4ETDP1
SCHEMBL27536580 0.83 KCNJ1 (0.44) MAPTSMN1; SMN2L3MBTL1HCAR3RAB9A
SCHEMBL17682295 0.82 MAPT (0.42) MAPTSMN1; SMN2L3MBTL1KDM4ETDP1
SCHEMBL16853368 0.81 RXFP1 (0.41) SMN1; SMN2HCAR3NPC1NNMTGABRP
SCHEMBL6456069 0.79 GABRP (0.57) MAPTL3MBTL1HCAR3HPGDGABRP
SCHEMBL5234177 0.79 NNMT (0.57) SMN1; SMN2L3MBTL1KDM4ENNMTGABRA5
SCHEMBL31906275 0.79 GABRP (0.57) MAPTL3MBTL1HCAR3HPGDGABRP
SCHEMBL15630423 0.79 MAPT (0.40) MAPTSMN1; SMN2L3MBTL1KDM4ETDP1
SCHEMBL28829391 0.79 MAPT (0.40) MAPTSMN1; SMN2L3MBTL1KDM4ETDP1
SCHEMBL28006758 0.79 MAPT (0.40) MAPTSMN1; SMN2L3MBTL1KDM4ETDP1

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-10399976-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma VITAE PHARMACEUTICALS, LLC (US) 2019-09-03 — — 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-10399976-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma RORC, RORB, RORA MAPT 3002/4885SMN1; SMN2 3537/4885L3MBTL1 4755/4885

“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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