SCHEMBL16136355

SCHEMBL16136355

CC(=O)NC1CCCc2[nH]cnc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.40
CYP11B2 P19099 5/20 0.40
BRD3 Q15059 1/20 0.38
MTNR1A P48039 2/20 0.34
MTNR1B P49286 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
KDM4E B2RXH2 2/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ATM Q13315 1/20 0.33
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32

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
SCHEMBL19413271 0.85 CYP11B1 (0.43) CYP11B1CYP11B2MTNR1AMTNR1BLMNA
SCHEMBL16152062 0.74 RAB9A (0.40) POLBLMNARAB9AALDH1A1AOC3
SCHEMBL1265945 0.73 KCNK3 (0.39) CYP11B1CYP11B2BRD3MTNR1ACA12
SCHEMBL1265943 0.73 KCNK3 (0.39) CYP11B1CYP11B2BRD3MTNR1ACA12
SCHEMBL6850929 0.72 RAB9A (0.40) KDM4EPOLBLMNAMAPTRAB9A
SCHEMBL24015501 0.72 BRD3 (0.41) CYP11B1CYP11B2BRD3MTNR1ACA12
SCHEMBL5051444 0.70 HDAC1 (0.54) MTNR1AMTNR1BALDH1A1
SCHEMBL5051439 0.70 HDAC1 (0.54) MTNR1AMTNR1BALDH1A1
SCHEMBL7218771 0.70 ALDH1A1 (0.37) KDM4EPOLBLMNARAB9AALDH1A1
SCHEMBL14012211 0.70 HDAC1 (0.54) MTNR1AMTNR1BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9776996-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2017-10-03 US disclosed
US-20160326170-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2016-11-10 US disclosed
US-9365570-B2 Substituted 6, 5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2016-06-14 US disclosed
US-20160024081-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds Epizyme, Inc. 2016-01-28 US disclosed
US-20150246916-A1 Substituted 6, 5-Fused Bicyclic Heteroaryl Compounds Epizyme, Inc. 2015-09-03 US disclosed
US-9045477-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2015-06-02 US disclosed
US-20140296283-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds Epizyme, Inc. (US) 2014-10-02 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 (4 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-20160024081-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 CYP11B1 16/4885CYP11B2 10/4885BRD3 489/4885
US-20150246916-A1 Substituted 6, 5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 CYP11B1 16/4885CYP11B2 10/4885BRD3 489/4885
US-20140296283-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 CYP11B1 16/4885CYP11B2 10/4885BRD3 489/4885
US-20160326170-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, PAICS, CYP4B1 CYP11B1 16/4885CYP11B2 10/4885BRD3 489/4885

“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.