SCHEMBL6099892

SCHEMBL6099892

N#Cc1ccc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
DRD2 P14416 3/20 0.42
DRD3 P35462 3/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ESR1 P03372 1/20 0.38
HTR1D P28221 1/20 0.38
ABCC9 O60706 1/20 0.38
KDM2B Q8NHM5 9/20 0.37
GRM5 P41594 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL6100339 0.89 SLC6A2 (0.43) EPHX2NPC1RAB9ADRD2DRD3
SCHEMBL7115105 0.87 SLC6A2 (0.35) EPHX2
SCHEMBL7124919 0.85 MELK (0.36) EPHX2DRD2DRD3
SCHEMBL7121745 0.84 CHRNB2 (0.40)
SCHEMBL6098344 0.84 CHRNB4 (0.39) NPC1RAB9AMEN1KMT2A
SCHEMBL6100330 0.83 SSTR3 (0.47)
SCHEMBL6098149 0.83 CHRNB2 (0.39) EPHX2GRM5
SCHEMBL7119235 0.83 CYP2A6 (0.43) NPC1RAB9A
SCHEMBL7121130 0.83 SLC6A3 (0.40)
SCHEMBL7121774 0.83 CHRNA7 (0.36)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 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 claimed
US-7001900-B2 Azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2006-02-21 US disclosed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
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 (2 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
US-20030236270-A1 Azabicyclic compounds for the treatment of disease MALT1, TPMT, CYP2B6 EPHX2 517/4885NPC1 484/4885RAB9A 1284/4885

“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.