SCHEMBL12526338

SCHEMBL12526338

OCc1cccc(N2CC=C(c3cccnc3)CC2)c1F

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 8/20 0.42
▸ DRD2 P14416 2/20 0.40
▸ DRD4 P21917 2/20 0.40
▸ DRD3 P35462 2/20 0.40
▸ GAA P10253 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ MKNK1 Q9BUB5 1/20 0.35
▸ MKNK2 Q9HBH9 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL14992524 0.82 AOC3 (0.39) AOC3DRD2DRD4DRD3
SCHEMBL12526344 0.80 AOC3 (0.36) AOC3DRD4KDM4EALDH1A1TDP1
SCHEMBL12526347 0.80 AOC3 (0.41) AOC3KDM4E
SCHEMBL16785165 0.79 AOC3 (0.53) AOC3
SCHEMBL12526428 0.77 AOC3 (0.49) AOC3DRD2DRD3GAAMKNK1
SCHEMBL12526334 0.75 AOC3 (0.62) AOC3DRD2DRD4DRD3KDM4E
SCHEMBL12526327 0.71 AOC3 (0.48) AOC3ALDH1A1TDP1
SCHEMBL28210679 0.71 MKNK1 (0.49) GAAALDH1A1MKNK1MKNK2
SCHEMBL12526343 0.70 CYP3A4 (0.47) AOC3ALDH1A1
SCHEMBL12525426 0.70 MEN1 (0.62) AOC3KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3002278-B1 GUANIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-04-19 — — EP disclosed
US-9556160-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2017-01-31 — — US disclosed
US-9556160-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2017-01-31 — — US disclosed
EP-2695881-B1 GUANIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2016-04-27 — — EP disclosed
EP-3002278-A1 GUANIDINE COMPOUND Astellas Pharma Inc. (JP) 2016-04-06 — — EP disclosed
US-20150203480-A1 GUANIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2015-07-23 — — US disclosed
US-20150203480-A1 GUANIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2015-07-23 — — US disclosed
US-9051283-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2015-06-09 — — US disclosed
US-9051283-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2015-06-09 — — US disclosed
US-20130143860-A1 GUANIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-06-06 — — US disclosed
WO-2012124696-A1 GUANIDINE COMPOUND アステラス製薬株式会社 (JP) 2012-09-20 — — 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 (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-20130143860-A1 GUANIDINE COMPOUND GUCY1A1, VAPA, VAPB AOC3 700/4885DRD2 1156/4885DRD4 794/4885
US-20150203480-A1 GUANIDINE COMPOUND GUCY1A1, VAPA, VAPB AOC3 700/4885DRD2 1156/4885DRD4 794/4885

“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.

Send feedback