SCHEMBL3558601

SCHEMBL3558601

Cc1cccnc1N1CCC(C=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.49
▸ KMT2A Q03164 1/20 0.46
▸ TRPV1 Q8NER1 2/20 0.44
▸ MALT1 Q9UDY8 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ ELANE P08246 1/20 0.42
▸ F13A1 P00488 1/20 0.41
▸ TGM2 P21980 1/20 0.41
▸ TGM1 P22735 1/20 0.41
▸ TGM3 Q08188 1/20 0.41
▸ LCAT P04180 1/20 0.41
▸ PARP1 P09874 1/20 0.40
▸ ALDH1A1 P00352 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
SCHEMBL3552058 0.81 KMT2A (0.61) HSD11B1KMT2ATRPV1MALT1ALDH1A1
SCHEMBL17206944 0.81 HSD11B1 (0.50) HSD11B1KMT2ATRPV1MALT1LCAT
SCHEMBL3436628 0.80 HSD11B1 (0.49) HSD11B1KMT2ATRPV1MALT1KDM4E
SCHEMBL3436511 0.80 SMO (0.53) HSD11B1KMT2ATRPV1MALT1KDM4E
SCHEMBL2804196 0.80 HSD11B1 (0.49) HSD11B1KMT2ATRPV1MALT1KDM4E
SCHEMBL238160 0.78 KDM4E (0.60) HSD11B1KMT2ATRPV1MALT1KDM4E
SCHEMBL18951797 0.77 CYP1A2 (0.68) HSD11B1ALDH1A1
SCHEMBL2560551 0.77 KMT2A (0.54) KMT2ATRPV1MALT1KDM4ERECQL
SCHEMBL7134019 0.77 OPRK1 (0.58) KMT2AKDM4E
SCHEMBL24126285 0.77 HSD11B1 (0.47) HSD11B1KMT2ATRPV1MALT1LCAT

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 3 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
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 — — 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 (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 HSD11B1 3972/4885KMT2A 1707/4885TRPV1 3/4885

“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.

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