SCHEMBL14073709

SCHEMBL14073709

O=C1COc2cc(NC(=O)[C@H]3CCCC(=O)N3)ccc2N1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.48
▸ GRIN3B O60391 1/20 0.48
▸ GRIN1 Q05586 1/20 0.48
▸ GRIN2A Q12879 1/20 0.48
▸ GRIN2B Q13224 1/20 0.48
▸ GRIN2C Q14957 1/20 0.48
▸ GRIN3A Q8TCU5 1/20 0.48
▸ TRPV1 Q8NER1 16/20 0.48
▸ CYP3A4 P08684 1/20 0.46
▸ CYP19A1 P11511 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44

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
SCHEMBL14073488 0.91 TRPV1 (0.57) TRPV1ALDH1A1MAPT
SCHEMBL14073514 0.84 TRPV1 (0.59) TRPV1ALDH1A1MAPT
SCHEMBL14073486 0.75 ALDH1A1 (0.60) TRPV1ALDH1A1MAPT
SCHEMBL14073146 0.75 SMN1; SMN2 (0.61) ALDH1A1MAPT
SCHEMBL4578101 0.74 TRPV1 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14073890 0.74 TRPV1 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4577333 0.72 ALDH1A1 (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14073507 0.72 ALDH1A1 (0.56) TRPV1ALDH1A1MAPT
SCHEMBL14073557 0.72 TRPV1 (0.56) TRPV1ALDH1A1MAPT
SCHEMBL30444601 0.72 KMT2A (0.62) TRPV1CYP3A4CYP19A1CYP2C9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 — — US disclosed
US-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 — — 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-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety MMP12, MMP13, MMP25 GRIN2D 4572/4885GRIN3B 3238/4885GRIN1 3699/4885

“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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