SCHEMBL3172709

SCHEMBL3172709

CCCCCC1(CCCCC)C(=O)N=C2C=CC=CN21

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PTGS1 P23219 3/20 0.30
PTGS2 P35354 3/20 0.30
MGLL Q99685 2/20 0.30
FAAH O00519 1/20 0.30

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
SCHEMBL543972 0.95 ALDH1A1 (0.49) ALDH1A1HPGDHSD17B10
SCHEMBL893106 0.73 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10
SCHEMBL543535 0.73 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10
SCHEMBL544039 0.71 ALDH1A1 (0.58) ALDH1A1HPGDHSD17B10
SCHEMBL543513 0.71 ALDH1A1 (0.48) ALDH1A1HPGDHSD17B10MGLL
SCHEMBL543866 0.70 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10
SCHEMBL544337 0.69 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10
SCHEMBL544393 0.69 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10
SCHEMBL544091 0.69 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10
SCHEMBL543720 0.67 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767824-B2 Heterocyclic compounds and cerebral function improvers containing the same as the active ingredient ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2010-08-03 US disclosed
US-7141579-B2 Heterocyclic compounds and cerebral function improvers containing the same as the active ingredient ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2006-11-28 US disclosed
US-20060205742-A1 Heterocyclic compounds and cerebral function improvers containing the same as the active ingredient ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2006-09-14 US disclosed
US-20040048879-A1 Heterocyclic compounds and cerebral function improvers containing the same as the active ingredient ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2004-03-11 US disclosed
EP-1357124-A1 HETEROCYCLIC COMPOUNDS AND CEREBRAL FUNCTION IMPROVERS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2003-10-29 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 (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-20060205742-A1 Heterocyclic compounds and cerebral function improvers containing the same as the active ingredient CBR3, CBR1, C1R ALDH1A1 2375/4885HPGD 868/4885HSD17B10 988/4885
US-20040048879-A1 Heterocyclic compounds and cerebral function improvers containing the same as the active ingredient CBR1, CBR3, CHAT ALDH1A1 1111/4885HPGD 1659/4885HSD17B10 805/4885

“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.