SCHEMBL7127416

SCHEMBL7127416

CC(=O)c1cccc(Oc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
PKM P14618 1/20 0.46
MMP2 P08253 1/20 0.44
MMP7 P09237 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
EZH2 Q15910 2/20 0.44
NR1H4 Q96RI1 1/20 0.41
GRM5 P41594 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RAF1 P04049 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39
TNKS O95271 1/20 0.39
PARP15 Q460N3 1/20 0.39
PARP14 Q460N5 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
SCHEMBL7116944 0.90 HPGD (0.46) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7125268 0.90 PARP10 (0.53) NPC1PKMMMP2MMP7MMP9
SCHEMBL7116942 0.89 MMP2 (0.43) NPC1PKMMMP2MMP7MMP9
SCHEMBL7126701 0.88 PGR (0.48) NPC1PKMMMP2MMP7MMP9
SCHEMBL7117124 0.88 NPC1 (0.62) NPC1PKMMMP2MMP7MMP9
SCHEMBL7124896 0.87 MMP2 (0.57) NPC1PKMMMP2MMP7MMP9
SCHEMBL7127654 0.86 GRM5 (0.47) NPC1PKMMMP2MMP7MMP9
SCHEMBL7124023 0.86 MMP2 (0.45) NPC1PKMMMP2MMP7MMP9
SCHEMBL7114486 0.86 KCNH2 (0.48) NPC1PKMMMP2MMP7MMP9
SCHEMBL7116064 0.86 MMP2 (0.38) NPC1MMP2MMP7MMP9MMP13

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 NPC1 267/4885PKM 4801/4885MMP2 3731/4885

“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.