SCHEMBL7125286

SCHEMBL7125286

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Sc2cccc(N3CCOCC3)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.37
ADAM17 P78536 1/20 0.36
MAPT P10636 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.35
ADRB2 P07550 1/20 0.35
KMT2A Q03164 1/20 0.35
USP30 Q70CQ3 2/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGDS O60760 1/20 0.34
HSD11B1 P28845 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL7116891 0.85 CHRNA7 (0.36) CHRNA7ADAM17MAPTCYP1A2CYP2C19
SCHEMBL7124878 0.84 ADAM17 (0.36) CHRNA7ADAM17MAPTCYP1A2CYP2C9
SCHEMBL7118044 0.84 USP30 (0.45) CHRNA7MAPTCYP1A2CYP2C19KDM4E
SCHEMBL7117122 0.82 ACACB (0.39) ADAM17CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL7113638 0.82 PIK3CA (0.43) CHRNA7MAPTCYP1A2CYP2C19ALDH1A1
SCHEMBL7123439 0.82 SCD5 (0.36) CHRNA7ADAM17MAPTKDM4EALDH1A1
SCHEMBL7122479 0.82 USP30 (0.39) CHRNA7MAPTKDM4EALDH1A1MEN1
SCHEMBL7125332 0.82 HDAC1 (0.38) CHRNA7MAPTUSP30ATRATRIP
SCHEMBL7127442 0.82 KDM4E (0.35) CHRNA7ADAM17MAPTKDM4EALDH1A1
SCHEMBL7125357 0.81 CHRNA7 (0.38) CHRNA7NPC1RAB9AHTR3A

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 397/4885ADAM17 4363/4885MAPT 4698/4885

“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.