SCHEMBL607196

SCHEMBL607196

CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(-c2ccc(Br)cc2)c[nH]1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
USP30 Q70CQ3 6/20 0.41
UCHL1 P09936 4/20 0.41
ALDH1A1 P00352 2/20 0.39
HCRTR1 O43613 3/20 0.39
HCRTR2 O43614 3/20 0.39
FPR3 P25089 1/20 0.39
FPR2 P25090 1/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL607195 1.00 KMT2A (0.45) KMT2AUSP30UCHL1ALDH1A1HCRTR1
Bromide SCHEMBL542121 0.99 KMT2A (0.45) KMT2AUSP30UCHL1ALDH1A1HCRTR1
SCHEMBL14841147 0.99 KMT2A (0.45) KMT2AUSP30UCHL1ALDH1A1HCRTR1
SCHEMBL12333142 0.99 KMT2A (0.45) KMT2AUSP30UCHL1ALDH1A1HCRTR1
Bromide SCHEMBL542120 0.99 KMT2A (0.45) KMT2AUSP30UCHL1ALDH1A1HCRTR1
SCHEMBL13223861 0.97 KMT2A (0.43) KMT2AUSP30UCHL1ALDH1A1HCRTR1
SCHEMBL13179251 0.95 USP30 (0.44) KMT2AUSP30UCHL1ALDH1A1LMNA
SCHEMBL883274 0.94 USP30 (0.43) KMT2AUSP30UCHL1ALDH1A1LMNA
SCHEMBL883261 0.94 USP30 (0.43) KMT2AUSP30UCHL1ALDH1A1LMNA
SCHEMBL889015 0.92 USP30 (0.43) KMT2AUSP30UCHL1ALDH1A1HCRTR1

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 92 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407445-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2019-09-10 US disclosed
US-20180055824-A1 SUBSTITUTED ALIPHANES, CYCLOPHANES, HETERAPHANES, HETEROPHANES, HETERO-HETERAPHANES AND METALLOCENES USEFUL FOR TREATING HCV INFECTIONS ACHILLION PHARMACEUTICALS, INC. (US) 2018-03-01 US disclosed
US-9833440-B2 Substituted aliphanes, cyclophanes, heteraphanes, heterophanes, hetero-heteraphanes and metallocenes useful for treating HCV infections ACHILLION PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed
US-9814699-B2 Chemical compounds Janssen Pharmaceuticals, Inc. (US) 2017-11-14 US disclosed
EP-3059241-B1 INTERMEDIATES IN THE PREPARATION OF A BIS(BENZIMIDAZOLE)CYCLOPHANE DERIVATIVE ACHILLION PHARMACEUTICALS INC (US) 2017-11-01 EP disclosed
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed
US-20170157096-A1 SUBSTITUTED ALIPHANES, CYCLOPHANES, HETERAPHANES, HETEROPHANES, HETERO-HETERAPHANES AND METALLOCENES USEFUL FOR TREATING HCV INFECTIONS ACHILLION PHARMACEUTICALS, INC. 2017-06-08 US disclosed
US-9592222-B2 Substituted aliphanes, cyclophanes, heteraphanes, heterophanes, hetero-heteraphanes and metallocenes useful for treating HCV infections ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-14 US disclosed
EP-2850075-B1 PIPERAZINE-PIPERIDINE COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2017-02-22 EP disclosed
EP-2499132-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-02-15 EP disclosed
WO-2011060000-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 WO disclosed
US-20110077280-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-03-31 US disclosed
WO-2010117635-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-14 WO disclosed
US-20100215618-A1 NOVEL COMPOUNDS - 644 ARROW THERAPEUTICS LIMITED (GB) 2010-08-26 US disclosed
WO-2010096777-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2010-08-26 WO disclosed
WO-2010094977-A1 NOVEL BIPHENYL COMPOUNDS USEFUL FOR THE TREATMENT OF HEPATITIS C ARROW THERAPEUTICS LIMITED (GB) 2010-08-26 WO disclosed
US-20100215616-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-08-26 US disclosed
WO-2009102325-A1 IMIDAZOLYL BIPHENYL IMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 WO disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 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 (7 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-20100215618-A1 NOVEL COMPOUNDS - 644 NR1H4, HAVCR2, CYP3A4 KMT2A 4641/4885USP30 3899/4885UCHL1 2514/4885
US-20100215616-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS KMT2A 4516/4885USP30 2534/4885UCHL1 405/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS KMT2A 4516/4885USP30 2534/4885UCHL1 405/4885
US-20180055824-A1 SUBSTITUTED ALIPHANES, CYCLOPHANES, HETERAPHANES, HETEROPHANES, HETERO-HETERAPHANES AND METALLOCENES USEFUL FOR TREATING HCV INFECTIONS HAVCR2, HCCS, AHR KMT2A 1159/4885USP30 3910/4885UCHL1 1136/4885
US-10407445-B2 Hepatitis C virus inhibitors HAVCR2, SLC10A1, EIF2AK2 KMT2A 2935/4885USP30 2450/4885UCHL1 2835/4885
US-20110077280-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS KMT2A 4287/4885USP30 2018/4885UCHL1 2118/4885
US-20170157096-A1 SUBSTITUTED ALIPHANES, CYCLOPHANES, HETERAPHANES, HETEROPHANES, HETERO-HETERAPHANES AND METALLOCENES USEFUL FOR TREATING HCV INFECTIONS HAVCR2, HCCS, AHR KMT2A 1227/4885USP30 4042/4885UCHL1 1140/4885

“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.