SCHEMBL5878652

SCHEMBL5878652

O=C1CC2CCC(C1)N2C(=O)Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.50
HTR3A P46098 1/20 0.50
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
AGTR2 P50052 4/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ABCB1 P08183 1/20 0.42
MAPK1 P28482 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MGLL Q99685 1/20 0.40

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
SCHEMBL17101356 0.80 CYP1A2 (0.54) GAAMGLL
SCHEMBL24785865 0.79 GAA (0.51) CHRNA7HTR3AGAASMN1; SMN2ALDH1A1
SCHEMBL5878556 0.79 AGTR2 (0.48) CHRNA7HTR3AGAASMN1; SMN2ALDH1A1
SCHEMBL12474666 0.77 CHRNA7 (0.47) CHRNA7HTR3AGAASMN1; SMN2ALDH1A1
SCHEMBL12094663 0.77 HTR2C (0.55) SMN1; SMN2AGTR2NPC1RAB9ACYP3A4
SCHEMBL154134 0.77 HTR2C (0.55) SMN1; SMN2AGTR2NPC1RAB9ACYP3A4
SCHEMBL13739665 0.76 CHRNA7 (0.35) CHRNA7HTR3AGAASMN1; SMN2ALDH1A1
SCHEMBL13739663 0.76 CHRNA7 (0.35) CHRNA7HTR3AGAASMN1; SMN2ALDH1A1
SCHEMBL18151944 0.75 ELOVL6 (0.47) CHRNA7HTR3AALDH1A1KDM4E
SCHEMBL18151912 0.75 ELOVL6 (0.47) CHRNA7HTR3AALDH1A1KDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006518367-A 2006-08-10 JP claimed
US-20060173063-A1 Exo-(t-butyl 2R(+))-2-amino-7-azabicyclo[2.2.1]heptane-7-carboxylate, intermediates, and process to prepare and isolate them PFIZER INC. 2006-08-03 US claimed
EP-1599483-A1 EXO-(T-BUTYL 2R(+))-2-AMINO-7-AZABICYCLO 2.2.1 HEPTANE- 7-CARBOXYLATE, INTERMEDIATES, AND PROCESS TO PREPARE AND ISOLATE THEM Pharmacia & Upjohn Company LLC (US) 2005-11-30 EP claimed
WO-2004074292-A1 EXO-(T-BUTYL 2R(+))-2-AMINO-7-AZABICYCLO[2.2.1]HEPTANE-7-CARBOXYLATE, INTERMEDIATES, AND PROCESS TO PREPARE AND ISOLATE THEM PHARMACIA & UPJOHN COMPANY LLC (US) 2004-09-02 WO claimed
US-20060173063-A1 Exo-(t-butyl 2R(+))-2-amino-7-azabicyclo[2.2.1]heptane-7-carboxylate, intermediates, and process to prepare and isolate them PFIZER INC. 2006-08-03 US disclosed
EP-1599483-A1 EXO-(T-BUTYL 2R(+))-2-AMINO-7-AZABICYCLO 2.2.1 HEPTANE- 7-CARBOXYLATE, INTERMEDIATES, AND PROCESS TO PREPARE AND ISOLATE THEM Pharmacia & Upjohn Company LLC (US) 2005-11-30 EP disclosed
WO-2004074292-A1 EXO-(T-BUTYL 2R(+))-2-AMINO-7-AZABICYCLO[2.2.1]HEPTANE-7-CARBOXYLATE, INTERMEDIATES, AND PROCESS TO PREPARE AND ISOLATE THEM PHARMACIA & UPJOHN COMPANY LLC (US) 2004-09-02 WO 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-20060173063-A1 Exo-(t-butyl 2R(+))-2-amino-7-azabicyclo[2.2.1]heptane-7-carboxylate, intermediates, and process to prepare and isolate them EXOC1, EXOC3, EXOC4 CHRNA7 319/4885HTR3A 1535/4885GAA 1974/4885

“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.