SCHEMBL7125243

SCHEMBL7125243

Cc1cnc(Oc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACACB O00763 3/20 0.37
POLB P06746 1/20 0.37
CHRNA7 P36544 2/20 0.36
MMP2 P08253 1/20 0.36
MMP7 P09237 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
ACACA Q13085 1/20 0.34
SLC8A1 P32418 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL7127620 0.88 POLB (0.36) SMN1; SMN2ACACBPOLBMMP2MMP7
SCHEMBL7117176 0.88 SLC8A1 (0.38) ACACBMMP2MMP7MMP9MMP13
SCHEMBL7122435 0.88 CHRNA7 (0.36) ALDH1A1SMN1; SMN2ACACBPOLBCHRNA7
SCHEMBL7120336 0.87 ACACB (0.38) ACACBPOLBMMP2MMP7MMP9
SCHEMBL7122587 0.86 ACACB (0.41) ACACBMMP2MMP7MMP9MMP13
SCHEMBL7126619 0.85 SCN9A (0.37) ALDH1A1SMN1; SMN2ACACBPOLBMMP2
SCHEMBL7118083 0.85 SMN1; SMN2 (0.38) NPC1RAB9ASMN1; SMN2POLBMMP2
SCHEMBL7126688 0.84 MMP2 (0.35) POLBMMP2MMP7MMP9MMP13
SCHEMBL7120608 0.84 POLB (0.37) SMN1; SMN2POLBMMP2MMP7MMP9
SCHEMBL7232869 0.83 NPC1 (0.34) NPC1RAB9ACHRNA7SLC8A1MEN1

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 ALDH1A1 870/4885NPC1 267/4885RAB9A 491/4885

“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.