SCHEMBL5429814

SCHEMBL5429814

CCOC(=O)c1cccn1C(C)(C)C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MAPT P10636 3/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ HPGD P15428 3/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ CACNA1B Q00975 1/20 0.38
▸ APBA1 Q02410 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA7 P43166 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ CA14 Q9ULX7 2/20 0.38

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
SCHEMBL13539052 0.83 TSHR (0.46) SMN1; SMN2TSHRNPC1RAB9AMAPT
SCHEMBL2399420 0.72 NPC1 (0.57) SMN1; SMN2TSHRNPC1RAB9AMAPT
SCHEMBL13541632 0.70 TSHR (0.48) SMN1; SMN2TSHRMAPTALDH1A1CA12
SCHEMBL520337 0.70 TSHR (0.48) SMN1; SMN2TSHRMAPTALDH1A1HPGD
SCHEMBL11270905 0.70 TSHR (0.48) SMN1; SMN2TSHRMAPTALDH1A1HPGD
SCHEMBL23069579 0.70 TSHR (0.48) SMN1; SMN2TSHRMAPTALDH1A1CA12
SCHEMBL28288962 0.70 L3MBTL1 (0.50) SMN1; SMN2TSHRNPC1RAB9AMAPT
SCHEMBL1981603 0.69 NOD2 (0.46) SMN1; SMN2RAB9AMAPTALDH1A1HPGD
SCHEMBL5257098 0.68 TSHR (0.46) SMN1; SMN2TSHRRAB9AMAPTALDH1A1
SCHEMBL17574712 0.68 TSHR (0.46) SMN1; SMN2TSHRMAPTALDH1A1KDM4E

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-20070015746-A1 Azepine derivaties as pharmaceutical agents X-CEPTOR THERAPEUTICS INC. (US) 2007-01-18 — — 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-20070015746-A1 Azepine derivaties as pharmaceutical agents HTR5A, TACR2, TACR1 SMN1; SMN2 2388/4885TSHR 138/4885NPC1 647/4885

“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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