SCHEMBL7121133

SCHEMBL7121133

N#Cc1cccc(Oc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.47
SLC6A3 Q01959 2/20 0.47
SLC6A4 P31645 1/20 0.47
MMP13 P45452 2/20 0.45
MMP2 P08253 1/20 0.45
MMP7 P09237 1/20 0.45
MMP9 P14780 1/20 0.45
EPHX2 P34913 1/20 0.43
NPC1 O15118 2/20 0.43
PKM P14618 1/20 0.42
USP30 Q70CQ3 2/20 0.41
SCN9A Q15858 7/20 0.40
EZH2 Q15910 1/20 0.40
RAB9A P51151 1/20 0.40
GRIA2 P42262 1/20 0.39
GRM5 P41594 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
SCHEMBL7120572 0.91 EPHX2 (0.49) MMP13MMP2MMP7MMP9EPHX2
SCHEMBL7125203 0.86 EPHX2 (0.40) MMP13MMP2MMP7MMP9EPHX2
SCHEMBL7125268 0.86 PARP10 (0.53) MMP13MMP2MMP7MMP9NPC1
SCHEMBL7127416 0.86 NPC1 (0.47) MMP13MMP2MMP7MMP9NPC1
SCHEMBL7116799 0.85 KDR (0.39) MMP13MMP2MMP7MMP9EPHX2
SCHEMBL7124896 0.85 MMP2 (0.57) MMP13MMP2MMP7MMP9NPC1
SCHEMBL7126701 0.85 PGR (0.48) SLC6A2SLC6A3SLC6A4MMP13MMP2
SCHEMBL7124023 0.85 MMP2 (0.45) MMP13MMP2MMP7MMP9NPC1
SCHEMBL7127654 0.85 GRM5 (0.47) SLC6A2SLC6A3SLC6A4MMP13MMP2
SCHEMBL7114486 0.85 KCNH2 (0.48) SLC6A2SLC6A3SLC6A4MMP13MMP2

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 SLC6A2 1156/4885SLC6A3 2265/4885SLC6A4 2137/4885

“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.