SCHEMBL7123855

SCHEMBL7123855

COc1cc(Oc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)no1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.37
NAAA Q02083 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
SSTR3 P32745 2/20 0.36
GRM5 P41594 1/20 0.36
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MMP2 P08253 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
KDM1A O60341 1/20 0.35
HTR4 Q13639 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34

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
SCHEMBL7123959 0.88 RAB9A (0.40) F10SMN1; SMN2NPC1TP53RAB9A
SCHEMBL7124019 0.87 MAPT (0.34) F10SMN1; SMN2NPC1TP53RAB9A
SCHEMBL7115187 0.86 MMP2 (0.35) F10NPC1RAB9ASSTR3GRM5
SCHEMBL7126680 0.86 MMP2 (0.36) F10SSTR3GRM5LMNAMAPT
SCHEMBL7114304 0.86 PTGDR2 (0.37) F10NPC1RAB9AMMP2MMP7
SCHEMBL7121276 0.85 SCN9A (0.39) F10LMNAMAPTMMP2MMP7
SCHEMBL7124879 0.83 NAAA (0.40) F10NAAASMN1; SMN2SSTR3GRM5
SCHEMBL7127599 0.82 NAAA (0.49) F10NAAANPC1RAB9ASSTR3
SCHEMBL7115178 0.82 SLC6A4 (0.38) KDM1A
SCHEMBL7114437 0.82 LOX (0.40) NAAARAB9ASSTR3GRM5CDK2

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 F10 4216/4885NAAA 4326/4885SMN1; SMN2 1918/4885

“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.