SCHEMBL17513664

SCHEMBL17513664

CCOc1ccc(C(=O)N(C)C2CC2)nc1C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ S1PR1 P21453 1/20 0.37
▸ S1PR3 Q99500 1/20 0.37
▸ S1PR4 O95977 1/20 0.37
▸ GRM5 P41594 1/20 0.36
▸ HCRTR1 O43613 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ FASN P49327 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ TPH1 P17752 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ SCN9A Q15858 1/20 0.34

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
SCHEMBL17513654 0.88 NPC1 (0.41) KMT2ANPC1RAB9AS1PR1ALDH1A1
SCHEMBL17513132 0.80 GAA (0.35) KMT2ANPC1RAB9AS1PR1ALDH1A1
SCHEMBL17513652 0.79 SCN9A (0.35) NPC1RAB9AALDH1A1SMN1; SMN2GAA
SCHEMBL17513116 0.77 KMT2A (0.39) KMT2ANPC1RAB9AS1PR1ALDH1A1
SCHEMBL17513666 0.76 CNR1 (0.44) KMT2ANPC1RAB9AALDH1A1
SCHEMBL16741034 0.72 TPH1 (0.47) NPC1RAB9AALDH1A1TPH1
SCHEMBL19915961 0.72 S1PR4 (0.61) KMT2AS1PR4GRM5HCRTR1ALDH1A1
SCHEMBL2490015 0.71 KMT2A (0.45) KMT2AS1PR1S1PR4GRM5ALDH1A1
SCHEMBL2486981 0.71 KMT2A (0.45) KMT2AS1PR1S1PR4GRM5ALDH1A1
SCHEMBL26140304 0.70 S1PR4 (0.41) KMT2AS1PR4GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3182962-B1 COMPOSITIONS AND USES OF AMIDINE DERIVATIVES BIOCRYST PHARM INC (US) 2023-06-07 — — EP disclosed
US-10905683-B2 Compositions and uses of amidine derivatives BIOCRYST PHARMACEUTICALS, INC. (US) 2021-02-02 — — US disclosed
US-20170266172-A1 Compositions and Uses of Amidine Derivatives WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-09-21 — — US disclosed
EP-3182962-A1 COMPOSITIONS AND USES OF AMIDINE DERIVATIVES Biocryst Pharmaceuticals, Inc. (US) 2017-06-28 — — EP disclosed
WO-2016029214-A9 COMPOSITIONS AND USES OF AMIDINE DERIVATIVES BIOCRYST PHARMACEUTICALS, INC. (US) 2017-01-05 — — WO disclosed
WO-2016029214-A1 COMPOSITIONS AND USES OF AMIDINE DERIVATIVES BIOCRYST PHARMACEUTICALS, INC. (US) 2016-02-25 — — WO 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 (2 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-10905683-B2 Compositions and uses of amidine derivatives HRH3, HRH2, HRH1 KMT2A 3712/4885NPC1 1391/4885RAB9A 1111/4885
US-20170266172-A1 Compositions and Uses of Amidine Derivatives HRH3, HRH2, HRH1 KMT2A 3712/4885NPC1 1391/4885RAB9A 1111/4885

“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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