SCHEMBL7124235

SCHEMBL7124235

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Oc2nnc(Cl)s2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
MMP7 P09237 1/20 0.36
MMP13 P45452 1/20 0.36
SLC6A3 Q01959 3/20 0.35
SLC6A4 P31645 2/20 0.35
GRM5 P41594 1/20 0.35
EZH2 Q15910 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
CHRNA7 P36544 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33
KDM4E B2RXH2 1/20 0.32
SSTR3 P32745 1/20 0.32

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
SCHEMBL7127379 0.88 MMP2 (0.36) MMP2MMP9MMP7MMP13GRM5
SCHEMBL7118083 0.88 SMN1; SMN2 (0.38) MMP2MMP9MMP7MMP13SLC6A3
SCHEMBL7124789 0.87 MMP2 (0.36) MMP2MMP9MMP7MMP13SLC6A3
SCHEMBL7115944 0.86 EPHX2 (0.36) MMP2MMP9MMP7MMP13EZH2
SCHEMBL7229535 0.86 SLC6A4 (0.40) SLC6A3SLC6A4KDM4E
SCHEMBL7125224 0.85 NPC1 (0.41) MMP2MMP9MMP7MMP13KDM4E
SCHEMBL7122435 0.85 CHRNA7 (0.36) MMP2MMP9MMP7MMP13SLC6A3
SCHEMBL7124966 0.85 SLC6A4 (0.46) MMP2MMP9MMP7MMP13SLC6A3
SCHEMBL7124376 0.84 GLS (0.37) MMP2MMP9MMP7MMP13TSHR
SCHEMBL7116892 0.83 DGAT1 (0.43) MMP2MMP9MMP7MMP13TSHR

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 3731/4885MMP9 3029/4885MMP7 2061/4885

“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.