SCHEMBL14073896

SCHEMBL14073896

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc2c(c1)OCC(=O)N2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ P2RX7 Q99572 5/20 0.56
▸ TRPV1 Q8NER1 1/20 0.48
▸ GPR55 Q9Y2T6 1/20 0.48
▸ CA12 O43570 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ GRIN2D O15399 1/20 0.47
▸ GRIN3B O60391 1/20 0.47
▸ GRIN1 Q05586 1/20 0.47
▸ GRIN2A Q12879 1/20 0.47
▸ GRIN2B Q13224 1/20 0.47
▸ GRIN2C Q14957 1/20 0.47
▸ GRIN3A Q8TCU5 1/20 0.47
▸ CYP3A4 P08684 1/20 0.46
▸ CYP19A1 P11511 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ USP2 O75604 1/20 0.46

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
SCHEMBL14073622 0.91 POLB (0.59) POLBNPSR1P2RX7TRPV1GPR55
SCHEMBL14073890 0.84 TRPV1 (0.50) TRPV1CA12CA9KMT2AMEN1
SCHEMBL4577333 0.81 ALDH1A1 (0.57) POLBTRPV1KMT2AGRIN2DGRIN3B
SCHEMBL14073372 0.77 KMT2A (0.54) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL14073718 0.77 TRPV1 (0.53) POLBTRPV1KMT2AGRIN2DGRIN3B
SCHEMBL14073011 0.76 P2RX7 (0.52) P2RX7ALDH1A1MAPT
SCHEMBL14073688 0.76 PARP1 (0.54) POLBTRPV1KMT2AGRIN2DGRIN3B
SCHEMBL14073733 0.76 MAPT (0.56) POLBTRPV1KMT2AMEN1GRIN2D
SCHEMBL4578101 0.75 TRPV1 (0.56) POLBTRPV1KMT2AMEN1GRIN2D
SCHEMBL14073616 0.74 MAPT (0.58) POLBTRPV1KMT2AALDH1A1MAPT

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-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 POLB 2906/4885NPSR1 1482/4885P2RX7 1588/4885

“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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