SCHEMBL271912

SCHEMBL271912

Cc1ccc(CCNc2cnc(C)s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GALR3 O60755 1/20 0.43
▸ MAPT P10636 4/20 0.43
▸ LMNA P02545 3/20 0.41
▸ TP53 P04637 2/20 0.41
▸ GPR84 Q9NQS5 1/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ GAA P10253 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2A6 P11509 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36
▸ GBA1 P04062 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CTDSP1 Q9GZU7 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
SCHEMBL265560 0.74 KMT2A (0.45) GALR3MAPTLMNATP53GPR84
SCHEMBL11563180 0.71 ALDH1A1 (0.51) GALR3MAPTLMNATP53GPR84
SCHEMBL26077561 0.71 — —
SCHEMBL263694 0.71 MAPT (0.43) GALR3MAPTLMNATP53GPR84
SCHEMBL22797034 0.70 — —
SCHEMBL14076496 0.67 LMNA (0.48) MAPTLMNATP53KMT2AALDH1A1
SCHEMBL19961109 0.67 ALDH1A1 (0.50) MAPTGPR84KMT2AALDH1A1MEN1
SCHEMBL11565540 0.66 HCAR3 (0.65) MAPTLMNAHDAC1ALDH1A1KDM4E
SCHEMBL575038 0.66 GAA (0.59) GALR3MAPTLMNAKMT2AALDH1A1
SCHEMBL248884 0.65 L3MBTL1 (0.70) MAPTGPR84KMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133909-B2 Heteroaromatic monoamides as orexinin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-13 — — US disclosed
US-8133909-B2 Heteroaromatic monoamides as orexinin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-13 — — US disclosed
WO-2009153180-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 — — WO disclosed
US-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 — — US disclosed
US-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 — — 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-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPSR1 GALR3 166/4885MAPT 2689/4885LMNA 4560/4885

“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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