Sugi Predict

Sugi Predict / Compounds / SCHEMBL13393530

SCHEMBL13393530

SCHEMBL13393530

Cc1ccc(-c2cccnc2)c(C)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.64
▸ RAB9A P51151 3/20 0.64
▸ TP53 P04637 2/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ MAPT P10636 2/20 0.64
▸ CYP17A1 P05093 1/20 0.62
▸ CYP2A6 P11509 6/20 0.54
▸ CYP3A4 P08684 5/20 0.54
▸ CYP2D6 P10635 3/20 0.54
▸ CYP2C9 P11712 3/20 0.54
▸ CYP2C19 P33261 3/20 0.54
▸ CYP2E1 P05181 2/20 0.54
▸ CYP2B6 P20813 2/20 0.54
▸ SLC2A1 P11166 1/20 0.54
▸ MAOA P21397 1/20 0.52
▸ MAOB P27338 1/20 0.52
▸ MAP2K4 P45985 1/20 0.51
▸ CYP11B1 P15538 2/20 0.51
▸ CYP11B2 P19099 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.50

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
SCHEMBL13765091 0.90 NPC1 (0.58) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL25871383 0.87 CYP2A6 (0.56) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL3424504 0.87 CYP2A6 (0.56) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL14493330 0.85 CYP2A6 (0.54) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL14003400 0.85 CYP2A6 (0.54) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL29394740 0.84 CYP2A6 (0.61) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL1803160 0.84 ESR2 (0.65) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL18312170 0.82 CYP11B1 (0.59) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL16806032 0.82 TDO2 (0.54) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL12326409 0.82 AKR1C3 (0.57) NPC1RAB9ATP53SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11040966-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2021-06-22 — — US disclosed
WO-2020099511-A1 BENZIMIDAZOLE-2-METHYL-MORPHOLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2020-05-22 — — WO disclosed
WO-2020007964-A1 2-(2-AZABICYCLO[3.1.0]HEXAN-1-YL)-1H-BENZIMIDAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2020-01-09 — — WO disclosed
US-20190263797-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-08-29 — — US disclosed
US-10329287-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-25 — — US disclosed
EP-3115362-B1 PIPERIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONIST SHANGHAI HAIYAN PHARMACEUTICAL TECH CO LTD (CN) 2019-06-12 — — EP disclosed
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2017-10-26 — — US disclosed
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2017-10-26 — — US disclosed
US-20170233385-A1 PIPERIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONIST SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2017-08-17 — — US disclosed
US-9732075-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-15 — — US disclosed
US-9732075-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-15 — — US disclosed
US-20170002006-A1 MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-01-05 — — US disclosed
US-20160368923-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-12-22 — — US disclosed
EP-2855453-B1 BENZIMIDAZOLE-PROLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2016-12-07 — — EP disclosed
US-9453018-B2 Pyrimidinones as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-27 — — US disclosed
US-20160096839-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-04-07 — — US disclosed
US-20150166527-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-06-18 — — US disclosed
US-20150166527-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-06-18 — — US disclosed
EP-2594554-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-05-22 — — EP disclosed
US-20100087382-A1 Inhibitors of Hepatitis C NS3 Protease BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-08 — — 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 (10 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-20100087382-A1 Inhibitors of Hepatitis C NS3 Protease RNASE1, GTF3C3, CTRL NPC1 491/4885RAB9A 1251/4885TP53 705/4885
US-20150166527-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R NPC1 1342/4885RAB9A 3199/4885TP53 4347/4885
US-20160368923-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 NPC1 3590/4885RAB9A 2644/4885TP53 4770/4885
US-10329287-B2 Benzimidazole-proline derivatives HCRTR1, HCRTR2, NPY1R NPC1 1460/4885RAB9A 3279/4885TP53 4389/4885
US-11040966-B2 Benzimidazole-proline derivatives HCRTR1, HCRTR2, NPY1R NPC1 1460/4885RAB9A 3279/4885TP53 4389/4885
US-20170002006-A1 MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS TFPI2, F2, TFPI NPC1 2295/4885RAB9A 3652/4885TP53 4732/4885
US-20160096839-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 NPC1 3590/4885RAB9A 2644/4885TP53 4770/4885
US-20170233385-A1 PIPERIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONIST HCRTR1, HCRTR2, OPRD1 NPC1 1353/4885RAB9A 1588/4885TP53 4876/4885
US-20190263797-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R NPC1 1460/4885RAB9A 3279/4885TP53 4389/4885
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R NPC1 1460/4885RAB9A 3279/4885TP53 4389/4885

“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.