SCHEMBL7121872

SCHEMBL7121872

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Oc2ccc(Cl)nc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
KCNE1 P15382 1/20 0.46
KCNQ1 P51787 1/20 0.46
CHRNB2 P17787 5/20 0.43
CHRNA4 P43681 5/20 0.43
CHRNA7 P36544 4/20 0.43
ALDH1A1 P00352 3/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CHRNA1 P02708 1/20 0.43
CHRNG P07510 1/20 0.43
CHRNB1 P11230 1/20 0.43
HPGD P15428 1/20 0.43
CHRND Q07001 1/20 0.43
CHRNA2 Q15822 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MMP2 P08253 1/20 0.41

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
SCHEMBL7117995 0.88 MMP2 (0.40) MMP2MMP7MMP9MMP13NAAA
SCHEMBL7124966 0.88 SLC6A4 (0.46) CHRNA7MEN1KMT2AMMP2MMP7
SCHEMBL7117240 0.86 TAS1R3 (0.43) KCNQ3KCNQ2KCNE1KCNQ1CHRNB2
SCHEMBL7123432 0.86 MMP2 (0.39) MMP2MMP7MMP9MMP13NAAA
SCHEMBL7125176 0.86 HRH3 (0.42) HPGDMMP2MMP7MMP9MMP13
SCHEMBL7116059 0.86 POLB (0.39) CHRNB2CHRNA4MEN1KMT2AMMP2
SCHEMBL7120386 0.85 SCN9A (0.43) CHRNB2CHRNA4MMP2MMP7MMP9
SCHEMBL7123375 0.85 MEN1 (0.40) MEN1KMT2AMMP2MMP7MMP9
SCHEMBL7124913 0.84 MMP2 (0.39) MMP2MMP7MMP9MMP13NAAA
SCHEMBL7125155 0.84 POLB (0.41) MEN1KMT2AMMP2MMP7MMP9

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 KCNQ3 499/4885KCNQ2 386/4885KCNE1 2414/4885

“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.