SCHEMBL7123339

SCHEMBL7123339

COc1ccc(Oc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)nc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
SCN9A Q15858 1/20 0.41
LIPE Q05469 1/20 0.39
NAAA Q02083 1/20 0.39
HPGDS O60760 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
GRM5 P41594 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
FAAH O00519 1/20 0.37
PAK1 Q13153 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
SCHEMBL7116059 0.92 POLB (0.39) POLBSMN1; SMN2LMNASCN9ANAAA
SCHEMBL7119283 0.90 POLB (0.46) POLBSMN1; SMN2LMNASCN9ALIPE
SCHEMBL7122583 0.90 POLB (0.50) POLBSMN1; SMN2LMNASCN9ALIPE
SCHEMBL7125155 0.88 POLB (0.41) POLBSMN1; SMN2LMNASCN9ALIPE
SCHEMBL7127599 0.87 NAAA (0.49) NAAAGRM5
SCHEMBL7126711 0.86 HRH3 (0.47) POLBSMN1; SMN2SCN9AMAPTHTT
SCHEMBL7117106 0.86 SCN9A (0.56) LMNASCN9ALIPEFAAH
SCHEMBL7114437 0.86 LOX (0.40) LMNANAAAHPGDSGRM5
SCHEMBL7121263 0.85 EPHX2 (0.42) POLBSMN1; SMN2SCN9A
SCHEMBL7116981 0.84 NAAA (0.41) NAAAGRM5

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 POLB 767/4885SMN1; SMN2 1918/4885LMNA 3819/4885

“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.