SCHEMBL12328016

SCHEMBL12328016

CCCCOC(=O)N1CC2(CCN(C(=O)Cc3ccc(OC)cc3)CC2)C1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 7/20 0.59
SMN1; SMN2 Q16637 1/20 0.57
MAPT P10636 3/20 0.53
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
CHRM2 P08172 4/20 0.48
GFER P55789 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP3A4 P08684 1/20 0.46
HTR2B P41595 1/20 0.46
KCNH2 Q12809 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL17227458 0.86 SMN1; SMN2 (0.66) GHSRSMN1; SMN2MAPTKMT2ACHRM2
SCHEMBL12328239 0.85 GHSR (0.56) GHSRCHRM2
SCHEMBL2441294 0.83 SMN1; SMN2 (0.68) GHSRSMN1; SMN2MAPTKMT2AMEN1
SCHEMBL2445002 0.82 SMN1; SMN2 (0.60) GHSRSMN1; SMN2MAPTKMT2ACHRM2
SCHEMBL12299405 0.78 SMN1; SMN2 (0.71) GHSRSMN1; SMN2MAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL2431655 0.77 SMN1; SMN2 (0.69) GHSRSMN1; SMN2MAPTKMT2AMEN1
SCHEMBL23112776 0.74 HRH2 (0.44) SMN1; SMN2KMT2AMEN1CHRM2ALDH1A1
SCHEMBL23112361 0.73 HRH2 (0.43) SMN1; SMN2MAPTKMT2AMEN1CHRM2
SCHEMBL31270775 0.72 LMNA (0.49) SMN1; SMN2ALDH1A1
SCHEMBL29751587 0.72 LMNA (0.48) SMN1; SMN2CYP3A4ALDH1A1HPGD

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
WO-2011114271-A1 2,3 DIHYDRO-1H-INDEN-1-YL- 2,7-DIAZASPIRO [3.6] NONANE DERIVATIVES AND THEIR USE AS ANTAGONISTS OR INVERSE AGONISTS OF THE GHRELIN RECEPTOR PFIZER INC. (US) 2011-09-22 WO disclosed
US-20110230461-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5] NONANE DERIVATIVES PFIZER INC. 2011-09-22 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-20110230461-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5] NONANE DERIVATIVES GIPR, GLP1R, GHSR GHSR 3/4885SMN1; SMN2 1839/4885MAPT 4319/4885

“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.