SCHEMBL7122497

SCHEMBL7122497

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Sc2ncco2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
TAS1R2 Q8TE23 2/20 0.32
EZH2 Q15910 1/20 0.32
EPHX2 P34913 1/20 0.31
GAA P10253 1/20 0.31
GFER P55789 1/20 0.31
RIPK1 Q13546 1/20 0.31
TRPV1 Q8NER1 2/20 0.31
MMP2 P08253 1/20 0.31
MMP7 P09237 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
HDAC6 Q9UBN7 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL7116052 0.84 CHRNA7 (0.36) CHRNA7SLC6A2SLC6A4SLC6A3EZH2
SCHEMBL7124928 0.82 CHRNA7 (0.40) CHRNA7SLC6A2SLC6A4SLC6A3EZH2
SCHEMBL7121139 0.82 CHRNA7 (0.35) CHRNA7SLC6A2SLC6A4SLC6A3EZH2
SCHEMBL7124949 0.82 CHRNA7 (0.35) CHRNA7SLC6A2SLC6A4SLC6A3EZH2
SCHEMBL7124000 0.82 CHRNA7 (0.35) CHRNA7SLC6A2SLC6A4SLC6A3EZH2
SCHEMBL7115016 0.82 CHRNA7 (0.35) CHRNA7SLC6A2SLC6A4SLC6A3TAS1R3
SCHEMBL6303618 0.81 CHRNA7 (0.34) CHRNA7EZH2TRPV1HDAC6
SCHEMBL6310401 0.81 CHRNA7 (0.38) CHRNA7EZH2EPHX2MMP2MMP7
SCHEMBL7224163 0.81 CHRNA7 (0.32) CHRNA7
SCHEMBL7127454 0.80 HDAC6 (0.38) CHRNA7SLC6A2SLC6A4SLC6A3EZH2

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 CHRNA7 397/4885SLC6A2 1156/4885SLC6A4 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.