SCHEMBL7124938

SCHEMBL7124938

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Sc2ccc(Cl)nc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 8/20 0.43
CHRNA4 P43681 7/20 0.43
CHRNA7 P36544 6/20 0.43
CHRNA3 P32297 4/20 0.43
ALDH1A1 P00352 3/20 0.43
CHRNB4 P30926 3/20 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
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KCNQ3 O43525 2/20 0.36
KCNQ2 O43526 2/20 0.36
KCNE1 P15382 1/20 0.36

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
SCHEMBL7120754 0.88 CHRNA7 (0.39) CHRNA7
SCHEMBL7123508 0.88 TRPV1 (0.44) CHRNA7ALDH1A1MEN1KMT2ATDP1
SCHEMBL7122575 0.86 TAS1R3 (0.43) CHRNB2CHRNA4CHRNA7CHRNA3ALDH1A1
SCHEMBL7122615 0.86 CHRNA7 (0.38) CHRNB2CHRNA4CHRNA7ALDH1A1HPGD
SCHEMBL7115237 0.85 CHRNA7 (0.37) CHRNB2CHRNA4CHRNA7NPC1RAB9A
SCHEMBL7122434 0.85 CHRNA7 (0.37) CHRNA7
SCHEMBL7116858 0.85 SLC6A2 (0.38) CHRNA7
SCHEMBL7124402 0.85 BRAF (0.40) CHRNB2CHRNA4CHRNA7CHRNA3ALDH1A1
SCHEMBL7127357 0.85 SMYD3 (0.41) CHRNB2CHRNA4CHRNA7CHRNA3CHRNB4
SCHEMBL7125259 0.85 NSD2 (0.41) CHRNA7ALDH1A1MEN1KMT2ATDP1

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 CHRNB2 899/4885CHRNA4 786/4885CHRNA7 397/4885

“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.