SCHEMBL699162

SCHEMBL699162

O=C(c1ccccc1)N1C2CC3CC(C2)CC1C3

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.56
CHRNB4 P30926 2/20 0.56
CHRNA3 P32297 2/20 0.56
CHRNA7 P36544 2/20 0.56
CHRNA4 P43681 2/20 0.56
HSD11B1 P28845 1/20 0.54
USP2 O75604 1/20 0.51
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
ELOVL6 Q9H5J4 1/20 0.46
HPGD P15428 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ACHE P22303 1/20 0.43
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
FAAH O00519 1/20 0.42

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
SCHEMBL15471014 0.80 USP2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL15466574 0.80 USP2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL15471017 0.80 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL15466748 0.80 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL14172576 0.78 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL21162194 0.78 ELOVL6 (0.53) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL18151913 0.77 ELOVL6 (0.52) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL27153138 0.77 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL2990830 0.76 ELOVL6 (0.48) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Adamantane SCHEMBL163246 0.74 TSHR (0.70) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423212-B1 PROCESS FOR PRODUCTION OF 2-AZAADAMANTANE COMPOUND FROM BICYCLOCARBAMATE COMPOUND NISSAN CHEMICAL IND LTD (JP) 2016-06-01 EP disclosed
CN-102405221-B Process for production of 2-azaadamantane compound from bicyclocarbamate compound NISSAN CHEMICAL IND LTD 2015-01-21 CN disclosed
US-8329909-B2 Method for producing 2-azaadamantane compound from bicyclocarbamate compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-12-11 US disclosed
CN-102405221-A Process for production of 2-azaadamantane compound from bicyclocarbamate compound NISSAN CHEMICAL IND LTD 2012-04-04 CN disclosed
US-20120053348-A1 METHOD FOR PRODUCING 2-AZAADAMANTANE COMPOUND FROM BICYCLOCARBAMATE COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-03-01 US disclosed
EP-2423212-A1 PROCESS FOR PRODUCTION OF 2-AZAADAMANTANE COMPOUND FROM BICYCLOCARBAMATE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2012-02-29 EP 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-20120053348-A1 METHOD FOR PRODUCING 2-AZAADAMANTANE COMPOUND FROM BICYCLOCARBAMATE COMPOUND CNKSR1, HDAC11, HDAC1 CHRNB2 2934/4885CHRNB4 3128/4885CHRNA3 1645/4885

“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.