SCHEMBL7123439

SCHEMBL7123439

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Sc2cc(N3CCOCC3)on2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 2/20 0.36
CHRNA7 P36544 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
USP30 Q70CQ3 3/20 0.34
SCD O00767 1/20 0.34
HPGD P15428 3/20 0.33
FLT3 P36888 2/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CD O00329 1/20 0.33
BRD4 O60885 1/20 0.33
PIK3CG P48736 1/20 0.33
ADAM17 P78536 1/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 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
SCHEMBL7115957 0.84 USP30 (0.38) CHRNA7ALDH1A1KDM4EUSP30HPGD
SCHEMBL7125332 0.83 HDAC1 (0.38) CHRNA7USP30FLT3MAPT
SCHEMBL7127442 0.83 KDM4E (0.35) CHRNA7ALDH1A1KDM4EUSP30HPGD
SCHEMBL7121821 0.82 SCD5 (0.38) SCD5ALDH1A1KDM4EUSP30SCD
SCHEMBL7122479 0.82 USP30 (0.39) CHRNA7ALDH1A1KDM4EUSP30HPGD
SCHEMBL7116992 0.82 CHRNA7 (0.35) CHRNA7ALDH1A1KDM4EUSP30PIK3CA
SCHEMBL7125286 0.82 CHRNA7 (0.37) CHRNA7ALDH1A1KDM4EUSP30ADAM17
SCHEMBL7115153 0.82 SLC6A3 (0.35) CHRNA7KMT2AMEN1
SCHEMBL7125031 0.82 NPC1 (0.37) CHRNA7ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL7123901 0.81 RIPK2 (0.41) CHRNA7ALDH1A1KDM4EUSP30HPGD

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 SCD5 2774/4885CHRNA7 397/4885ALDH1A1 870/4885

“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.