SCHEMBL13097296

SCHEMBL13097296

COC(C)(C)CCOC1CCN(c2cccc(OCc3ccccc3)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.42
GRM5 P41594 1/20 0.42
ALOX5 P09917 1/20 0.42
F10 P00742 1/20 0.41
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 2/20 0.39
MCHR1 Q99705 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 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
SCHEMBL13097287 0.88 F10 (0.44) MAOBGRM5ALOX5F10TMEM97
SCHEMBL13097298 0.86 CYP2D6 (0.38) MAOBALOX5F10CYP2D6MAPT
SCHEMBL13097067 0.86 MAOB (0.47) MAOBGRM5ALOX5F10TMEM97
SCHEMBL13106299 0.85 DRD2 (0.39) CYP2D6TSHRMAPT
SCHEMBL13097297 0.82 DRD2 (0.43) TMEM97SIGMAR1ALDH1A1LMNASMN1; SMN2
SCHEMBL13097703 0.80 CYP2D6 (0.70) ALDH1A1LMNACYP2D6MAPTKMT2A
SCHEMBL13106618 0.78 CYP2D6 (0.37) MAOBALDH1A1LMNACYP2D6MAPT
SCHEMBL13097290 0.76 F10 (0.37) MAOBF10TMEM97SIGMAR1MAPT
SCHEMBL13097312 0.75 NPC1 (0.58) MAOBGRM5ALOX5F10KDM4E
SCHEMBL30812193 0.73 MAPT (0.46) F10TMEM97SIGMAR1KDM4EALDH1A1

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
US-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 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-20100256113-A1 QUINOLONE DERIVATIVE NQO1, NQO2, NADK MAOB 200/4885GRM5 2967/4885ALOX5 445/4885

“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.