SCHEMBL7121263

SCHEMBL7121263

N#Cc1ccc(Oc2ccc(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
SCN9A Q15858 5/20 0.40
FPR2 P25090 1/20 0.40
EGLN1 Q9GZT9 6/20 0.40
PRKAA2 P54646 1/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
P2RX3 P56373 1/20 0.39
PDE4B Q07343 1/20 0.38
OPRM1 P35372 1/20 0.38
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37

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
SCHEMBL7120572 0.89 EPHX2 (0.49) EPHX2NPC1RAB9ASCN9APOLB
SCHEMBL7122473 0.86 EPHX2 (0.39) EPHX2NPC1RAB9ASCN9AEGLN1
SCHEMBL7125155 0.85 POLB (0.41) NPC1RAB9ASCN9AFPR2EGLN1
SCHEMBL7122583 0.85 POLB (0.50) NPC1RAB9ASCN9AEGLN1POLB
SCHEMBL7119283 0.85 POLB (0.46) SCN9APRKAA2POLBSMN1; SMN2
SCHEMBL7123339 0.85 POLB (0.43) SCN9APOLBSMN1; SMN2
SCHEMBL7117106 0.83 SCN9A (0.56) SCN9A
SCHEMBL7123432 0.83 MMP2 (0.39) EPHX2NPC1RAB9ASCN9AEGLN1
SCHEMBL7125203 0.83 EPHX2 (0.40) EPHX2NPC1RAB9ASCN9AP2RX3
SCHEMBL7126711 0.82 HRH3 (0.47) NPC1RAB9ASCN9APRKAA2POLB

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.