SCHEMBL14950991

SCHEMBL14950991

CN[C@@H](CCCCN=[N+]=[N-])C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 3/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ CNR2 P34972 1/20 0.30
▸ NOS3 P29474 2/20 0.30
▸ NOS1 P29475 2/20 0.30
▸ NOS2 P35228 2/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ IDUA P35475 1/20 0.30

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
SCHEMBL15706851 1.00 FOLH1 (0.32) FOLH1CHRM2CHRM4CHRM1CNR2
SCHEMBL16446180 0.86 FOLH1 (0.39) FOLH1CNR2NOS3NOS1NOS2
SCHEMBL13448062 0.86 FOLH1 (0.39) FOLH1CNR2NOS3NOS1NOS2
SCHEMBL24012402 0.83 CNR2 (0.32) FOLH1CHRM2CHRM4CHRM1CNR2
SCHEMBL24012407 0.83 CNR2 (0.32) FOLH1CNR2
SCHEMBL14682786 0.81 CA2 (0.37) FOLH1
SCHEMBL16920505 0.79 SELP (0.34) FOLH1
SCHEMBL22343075 0.79 ACHE (0.38) FOLH1
SCHEMBL18028046 0.78 NEU4 (0.32) —
SCHEMBL20980231 0.76 ADRB2 (0.32) FOLH1CNR2

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
WO-2019092618-A9 GLP-1 RECEPTOR LIGAND MOIETY CONJUGATED OLIGONUCLEOTIDES AND USES THEREOF IONIS PHARMACEUTICALS, INC (US) 2020-06-18 — — WO disclosed
WO-2017192820-A1 GLP-1 RECEPTOR LIGAND MOIETY CONJUGATED OLIGONUCLEOTIDES AND USES THEREOF IONIS PHARMACEUTICALS, INC. (US) 2017-11-09 — — WO disclosed
US-20160289274-A1 TRIAZOLE MACROCYCLE SYSTEMS AILERON THERAPEUTICS, INC. 2016-10-06 — — US disclosed
US-9175045-B2 Peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2015-11-03 — — US disclosed
US-20140135255-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2014-05-15 — — 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 (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-20160289274-A1 TRIAZOLE MACROCYCLE SYSTEMS FLT3, VIP, NGLY1 FOLH1 741/4885CHRM2 4822/4885CHRM4 4529/4885
US-20140135255-A1 PEPTIDOMIMETIC MACROCYCLES CCL2, TAP2, TAP1 FOLH1 144/4885CHRM2 4863/4885CHRM4 4654/4885

“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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