SCHEMBL7122453

SCHEMBL7122453

Cc1cccc(Oc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.42
BTK Q06187 3/20 0.39
EZH2 Q15910 3/20 0.39
MMP2 P08253 1/20 0.39
MMP7 P09237 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
ADAM17 P78536 1/20 0.39
SCN9A Q15858 1/20 0.37
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
ST14 Q9Y5Y6 1/20 0.37
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL7117979 0.90 MMP2 (0.41) GRM5EZH2MMP2MMP7MMP9
SCHEMBL7114294 0.88 MMP2 (0.38) GRM5BTKEZH2MMP2MMP7
SCHEMBL7124179 0.88 L3MBTL1 (0.42) GRM5BTKEZH2MMP2MMP7
SCHEMBL7122577 0.86 MAPK8 (0.40) GRM5EZH2MMP2MMP7MMP9
SCHEMBL7116458 0.86 P2RX3 (0.39) EZH2MMP2MMP7MMP9MMP13
SCHEMBL7123453 0.85 LOXL2 (0.42) BTKMMP2MMP7MMP9MMP13
SCHEMBL7122583 0.82 POLB (0.50) MMP2MMP7MMP9MMP13SCN9A
SCHEMBL7117122 0.81 ACACB (0.39) BTKADAM17NPC1RAB9ASMN1; SMN2
SCHEMBL7124896 0.81 MMP2 (0.57) EZH2MMP2MMP7MMP9MMP13
SCHEMBL7117995 0.81 MMP2 (0.40) BTKEZH2MMP2MMP7MMP9

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 GRM5 2824/4885BTK 2411/4885EZH2 462/4885

“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.