SCHEMBL889032

SCHEMBL889032

CC1CCC1C(=O)Nc1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
MEN1 O00255 3/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KDM4E B2RXH2 1/20 0.51
FPR2 P25090 7/20 0.50
FPR1 P21462 1/20 0.47
F13A1 P00488 1/20 0.46
TGM2 P21980 1/20 0.46
EPHX1 P07099 1/20 0.46

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
SCHEMBL889076 0.90 HTT (0.54) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL889034 0.90 SMN1; SMN2 (0.50) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL889041 0.90 KMT2A (0.66) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL19297616 0.79 F13A1 (0.49) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL2628758 0.77 TRPM8 (0.73) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL2719839 0.77 NAMPT (0.67) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL7824367 0.75 RAB9A (0.72) KMT2ARAB9AMEN1MAPTSMN1; SMN2
SCHEMBL12810176 0.75 FPR2 (0.48) FPR2
SCHEMBL13696943 0.74 NPC1 (0.68) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL6556747 0.73 CHRNA7 (0.62) NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822700-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-09-02 US disclosed
US-8815928-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-08-26 US disclosed
US-8759332-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-06-24 US disclosed
US-8703938-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-04-22 US disclosed
US-20110070197-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-24 US disclosed
US-20110064695-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110064696-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110064697-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 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-20110064697-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 KMT2A 2992/4885NPC1 34/4885RAB9A 3060/4885
US-20110064695-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 KMT2A 2992/4885NPC1 34/4885RAB9A 3060/4885
US-20110064696-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 KMT2A 2992/4885NPC1 34/4885RAB9A 3060/4885
US-20110070197-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 KMT2A 2992/4885NPC1 34/4885RAB9A 3060/4885

“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.