SCHEMBL13997490

SCHEMBL13997490

CCN(CC)c1ccc2c(-c3ccccc3C(=O)N3CCN(C(=O)CC[C@H](NC(C)C)C(=O)C(C)C)CC3)c3ccc(=[N+](CC)CC)cc-3oc2c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 3/20 0.55
▸ TGM2 P21980 1/20 0.54
▸ FPR2 P25090 4/20 0.53
▸ MEN1 O00255 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ PPARG P37231 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ NCOR2 Q9Y618 1/20 0.47
▸ AVPR2 P30518 4/20 0.46
▸ CHRM1 P11229 2/20 0.45
▸ APLNR P35414 2/20 0.41
▸ TLR7 Q9NYK1 1/20 0.39

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
SCHEMBL17126766 0.87 TGM2 (0.60) NPY4RTGM2FPR2MEN1USP2
SCHEMBL12870952 0.86 TGM2 (0.60) NPY4RTGM2FPR2MEN1USP2
SCHEMBL13103120 0.85 TGM2 (0.61) NPY4RTGM2FPR2MEN1USP2
SCHEMBL18732968 0.85 TGM2 (0.61) NPY4RTGM2FPR2MEN1USP2
SCHEMBL18087519 0.85 TGM2 (0.62) NPY4RTGM2FPR2MEN1USP2
SCHEMBL13997540 0.84 NPY4R (0.58) NPY4RTGM2FPR2MEN1USP2
SCHEMBL18061544 0.83 TGM2 (0.58) NPY4RTGM2FPR2MEN1USP2
SCHEMBL3504540 0.83 TGM2 (0.60) NPY4RTGM2FPR2MEN1USP2
SCHEMBL13114579 0.83 TGM2 (0.58) NPY4RTGM2FPR2MEN1USP2
SCHEMBL12119403 0.82 TGM2 (0.61) NPY4RTGM2FPR2MEN1USP2

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-20080317767-A1 Tripartitle Raftophilic Strutures and their Use MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2008-12-25 — — 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-20080317767-A1 Tripartitle Raftophilic Strutures and their Use FGB, CLTB, CD38 NPY4R 2249/4885TGM2 2625/4885FPR2 86/4885

“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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