SCHEMBL7125031

SCHEMBL7125031

Cc1cc(Sc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)no1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
SLC6A2 P23975 5/20 0.36
SLC6A4 P31645 5/20 0.36
SLC6A3 Q01959 5/20 0.36
CHRNA7 P36544 1/20 0.35
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
ITGA5 P08648 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRND Q07001 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7124866 0.88 SLC6A4 (0.35) SLC6A2SLC6A4SLC6A3CHRNA7CHRNB2
SCHEMBL7115153 0.88 SLC6A3 (0.35) TSHRSLC6A2SLC6A4SLC6A3CHRNA7
SCHEMBL7115178 0.87 SLC6A4 (0.38) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL7120638 0.87 ALDH1A1 (0.34) SLC6A2SLC6A4SLC6A3CHRNA7CHRNB2
SCHEMBL7123917 0.86 HDAC4 (0.39) SLC6A2SLC6A4SLC6A3CHRNA7
SCHEMBL7124856 0.85 EPHX2 (0.35) NPC1RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL7123439 0.82 SCD5 (0.36) NPC1RAB9ASMN1; SMN2CHRNA7MEN1
SCHEMBL7120325 0.82 GRM5 (0.39) NPC1RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL7124968 0.82 CHRNA7 (0.35) SLC6A2SLC6A4SLC6A3CHRNA7EZH2
SCHEMBL7115118 0.81 CHEK2 (0.36) NPC1RAB9ASMN1; SMN2SLC6A2SLC6A4

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 NPC1 267/4885RAB9A 491/4885TP53 2979/4885

“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.