SCHEMBL3552364

SCHEMBL3552364

COc1ccc(N2CCC(C=O)CC2)c(N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
HPGD P15428 1/20 0.46
SCN2A Q99250 1/20 0.45
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
USP8 P40818 1/20 0.43
USP7 Q93009 1/20 0.43
GAA P10253 4/20 0.43
HSD17B10 Q99714 2/20 0.43
POLB P06746 1/20 0.43
NR4A1 P22736 1/20 0.43
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40

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
SCHEMBL3559786 0.84 HTR3E (0.58) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL11906870 0.82 KDM4E (0.47) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL3275743 0.79 MEN1 (0.59) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL5479404 0.77 S100B (0.59) KDM4EMAPTALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL23043605 0.76 KDM4E (0.58) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL230404 0.76 HTR3E (0.53) MAPTALDH1A1RAB9AKMT2AMEN1
Hydrochloric Acid SCHEMBL29977996 0.76 KDM4E (0.58) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL29833119 0.75 KDM4E (0.55) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL28402339 0.75 HTR3A (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL14334153 0.75 HTR2C (0.43) KDM4EMAPTALDH1A1NPC1RAB9A

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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 KDM4E 1834/4885MAPT 1330/4885ALDH1A1 975/4885

“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.