SCHEMBL7125166

SCHEMBL7125166

CC(=O)Nc1ccnc(Oc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
LOX P28300 6/20 0.39
LOXL2 Q9Y4K0 6/20 0.39
HRH3 Q9Y5N1 1/20 0.36
GRM5 P41594 1/20 0.35
SCN9A Q15858 1/20 0.35
PRKAA2 P54646 1/20 0.34
TYK2 P29597 1/20 0.34
MMP2 P08253 1/20 0.34
MMP7 P09237 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
HTT P42858 1/20 0.34
DYRK1A Q13627 1/20 0.34
ACACB O00763 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33

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
SCHEMBL7125270 0.90 LOXL2 (0.38) LOXLOXL2SCN9AMMP2MMP7
SCHEMBL7124884 0.87 POLB (0.39) KMT2ALOXLOXL2GRM5MMP2
SCHEMBL7123911 0.86 MAPK14 (0.43)
SCHEMBL7126711 0.86 HRH3 (0.47) KMT2AHRH3SCN9APRKAA2HTT
SCHEMBL7114437 0.86 LOX (0.40) LOXLOXL2GRM5
SCHEMBL7124977 0.85 MMP2 (0.41) KMT2AMMP2MMP7MMP9MMP13
SCHEMBL7123363 0.85 MMP13 (0.40) LOXLOXL2GRM5SCN9AMMP2
SCHEMBL7116456 0.84 EGLN1 (0.39) GRM5MMP2MMP7MMP9MMP13
SCHEMBL7124006 0.82 MAPT (0.40) HRH3GRM5MMP2MMP7MMP9
SCHEMBL7122473 0.82 EPHX2 (0.39) LOXLOXL2GRM5SCN9AMMP2

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-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-10 US claimed
US-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-10 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-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease CYP7B1, UGT2B7, CYP1B1 KMT2A 1264/4885LOX 3030/4885LOXL2 4132/4885

“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.