SCHEMBL7123450

SCHEMBL7123450

CC(=O)c1csc(Oc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)n1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
P2RX3 P56373 1/20 0.34
SLC8A1 P32418 2/20 0.33
EZH2 Q15910 1/20 0.32
ADAM17 P78536 1/20 0.32
POLB P06746 1/20 0.32
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL7119410 0.88 NPC1 (0.37) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7118035 0.87 MMP2 (0.34) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7124892 0.86 MMP2 (0.35) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7120647 0.86 MMP2 (0.36) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7124909 0.85 EPHX2 (0.35) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7123409 0.84 SCN9A (0.35) MMP2MMP7MMP9MMP13
SCHEMBL7115023 0.82 CHRNA7 (0.35) EZH2HTR3EHTR3BHTR3AHTR3D
SCHEMBL7124789 0.82 MMP2 (0.36) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7116944 0.82 HPGD (0.46) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7121804 0.82 KDR (0.40) MMP2MMP7MMP9MMP13EZH2

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 MMP2 3731/4885MMP7 2061/4885MMP9 3029/4885

“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.