SCHEMBL7122440

SCHEMBL7122440

N#Cc1nnc(Sc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)s1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.37
EPHX2 P34913 1/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CHRNA7 P36544 1/20 0.34
KDM1A O60341 1/20 0.32
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
EGLN1 Q9GZT9 2/20 0.31
EZH2 Q15910 1/20 0.31
HTR3E A5X5Y0 1/20 0.30
HTR3B O95264 1/20 0.30
HTR3A P46098 1/20 0.30
HTR3D Q70Z44 1/20 0.30
HTR3C Q8WXA8 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL7121893 0.86 HDAC6 (0.38) HDAC6NPC1RAB9ACHRNA7SLC6A2
SCHEMBL7115039 0.86 HDAC6 (0.38) HDAC6NPC1RAB9ACHRNA7SLC6A2
SCHEMBL7127585 0.85 HDAC6 (0.36) HDAC6NPC1RAB9ACHRNA7SLC6A2
SCHEMBL7123272 0.85 HDAC6 (0.38) HDAC6CHRNA7SLC6A2SLC6A4SLC6A3
SCHEMBL7123354 0.85 HDAC6 (0.37) HDAC6EPHX2NPC1RAB9ACHRNA7
SCHEMBL7125132 0.83 EPHX2 (0.35) EPHX2NPC1RAB9ACHRNA7KDM1A
SCHEMBL7121247 0.83 SLC6A2 (0.37) HDAC6NPC1RAB9ACHRNA7SLC6A2
SCHEMBL7123977 0.83 NPC1 (0.36) EPHX2NPC1RAB9ACHRNA7KDM1A
SCHEMBL7125131 0.83 EPHX2 (0.49) EPHX2NPC1RAB9ACHRNA7SLC6A2
SCHEMBL7126926 0.83 KMT2A (0.39) HDAC6NPC1RAB9AALDH1A1LMNA

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 HDAC6 760/4885EPHX2 194/4885NPC1 267/4885

“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.