SCHEMBL12526327

SCHEMBL12526327

OCc1cccc(N2CCC(c3cccnc3)CC2)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 7/20 0.48
▸ GRM2 Q14416 2/20 0.44
▸ CYP11B2 P19099 1/20 0.43
▸ HSD11B1 P28845 1/20 0.43
▸ CHRNA7 P36544 3/20 0.39
▸ CHRNB2 P17787 3/20 0.39
▸ CHRNA4 P43681 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CHRNB4 P30926 2/20 0.39
▸ CHRNA3 P32297 2/20 0.39
▸ CHRNA2 Q15822 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HTR3E A5X5Y0 1/20 0.39
▸ PSIP1 O75475 1/20 0.39
▸ TRPA1 O75762 1/20 0.39
▸ HTR3B O95264 1/20 0.39
▸ CHRNA1 P02708 1/20 0.39
▸ CHRNG P07510 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL12526459 0.86 AOC3 (0.61) AOC3GRM2ALDH1A1LMNA
SCHEMBL12526597 0.81 AOC3 (0.67) AOC3CHRNB2CHRNA4
SCHEMBL12526334 0.80 AOC3 (0.62) AOC3CHRNB2CHRNA4ALDH1A1TDP1
SCHEMBL14992786 0.80 AOC3 (0.47) AOC3GRM2CYP11B2HSD11B1CHRNA7
SCHEMBL12526350 0.79 AOC3 (0.44) AOC3
SCHEMBL15000779 0.78 AOC3 (0.46) AOC3
SCHEMBL16785262 0.78 AOC3 (0.64) AOC3
SCHEMBL12523794 0.77 LRRK2 (0.43) AOC3ALDH1A1
SCHEMBL18756860 0.76 AOC3 (0.43) AOC3
SCHEMBL12526428 0.75 AOC3 (0.49) AOC3

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 700/4885GRM2 2771/4885CYP11B2 3647/4885
US-20150203480-A1 GUANIDINE COMPOUND GUCY1A1, VAPA, VAPB AOC3 700/4885GRM2 2771/4885CYP11B2 3647/4885

“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