SCHEMBL758408

SCHEMBL758408

O=C(CN1CCCCC1)N1CCNCC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.73
CA2 P00918 2/20 0.55
CHKA P35790 1/20 0.55
BIRC2 Q13490 1/20 0.49
ALDH1A1 P00352 5/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CHRM5 P08912 2/20 0.45
CHRM3 P20309 2/20 0.45
SIGMAR1 Q99720 1/20 0.45
KDM4E B2RXH2 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
LMNA P02545 1/20 0.42
GFER P55789 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 2/20 0.41

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
SCHEMBL655825 0.98 GAA (0.69) GAACA2CHKABIRC2ALDH1A1
Hydrochloric Acid SCHEMBL8186264 0.96 GAA (0.67) GAACA2CHKABIRC2ALDH1A1
SCHEMBL254801 0.92 GAA (0.67) GAACA2CHKABIRC2ALDH1A1
SCHEMBL209616 0.90 GAA (0.63) GAACA2CHKABIRC2ALDH1A1
SCHEMBL6963350 0.90 GAA (0.63) GAACA2CHKABIRC2ALDH1A1
SCHEMBL361321 0.90 GAA (0.56) GAACA2CHKABIRC2ALDH1A1
Hydrochloric Acid SCHEMBL27822626 0.88 GAA (0.61) GAACA2CHKABIRC2ALDH1A1
SCHEMBL20349175 0.85 GAA (0.91) GAABIRC2ALDH1A1MAPTALOX15
SCHEMBL21338467 0.85 GAA (0.91) GAABIRC2ALDH1A1MAPTALOX15
SCHEMBL3912798 0.85 GAA (0.91) GAABIRC2ALDH1A1MAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 US disclosed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 US disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 US disclosed
EP-0132764-A2 Derivatives of dihydrodibenzocycloheptylidene-ethylamine SOCIEDAD ESPANOLA DE ESPECIALIDADES FARMACO-TERAPEUTICAS, S.A. (ES) 1985-02-13 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 (2 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-20070282101-A1 Indazole compounds CYP3A43, CYP3A7, UGT1A1 GAA 358/4885CA2 3954/4885CHKA 1540/4885
US-20120053345-A1 Indazole Compounds CYP3A43, CYP3A7, UGT1A1 GAA 358/4885CA2 3954/4885CHKA 1540/4885

“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.