SCHEMBL7125022

SCHEMBL7125022

N#Cc1ccc(Sc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)nc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
EGLN1 Q9GZT9 9/20 0.38
CTSC P53634 1/20 0.36
CNR1 P21554 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DPP4 P27487 1/20 0.35
GRM5 P41594 2/20 0.34
CHRNA7 P36544 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
SCHEMBL7125131 0.89 EPHX2 (0.49) EPHX2NPC1RAB9AEGLN1ALDH1A1
SCHEMBL7124402 0.86 BRAF (0.40) RAB9ACHRNB2CHRNA4ALDH1A1CHRNA7
SCHEMBL7127598 0.86 EPHX2 (0.39) EPHX2NPC1RAB9AEGLN1CNR1
SCHEMBL7113610 0.85 BRAF (0.37) CHRNB2CHRNA4LMNAL3MBTL1CHRNA7
SCHEMBL7115118 0.85 CHEK2 (0.36) NPC1RAB9ACHRNA7
SCHEMBL7114448 0.83 KDR (0.41) RAB9ACHRNB2CHRNA4ALDH1A1
SCHEMBL7127540 0.83 EPHX2 (0.40) EPHX2NPC1RAB9AEGLN1CNR1
SCHEMBL7122459 0.83 SLC6A2 (0.37) GRM5
SCHEMBL7115237 0.82 CHRNA7 (0.37) EPHX2NPC1RAB9AEGLN1CTSC
SCHEMBL7125132 0.81 EPHX2 (0.35) EPHX2NPC1RAB9AEGLN1CNR1

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 EPHX2 194/4885NPC1 267/4885RAB9A 491/4885

“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.