SCHEMBL968495

SCHEMBL968495

CCN(C=O)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
TSHR P16473 4/20 0.48
ALDH1A1 P00352 3/20 0.46
CNR2 P34972 1/20 0.44
AOC3 Q16853 1/20 0.43
MAPK1 P28482 2/20 0.43
MGLL Q99685 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL26802 0.87 ALDH1A1 (0.48) LMNATSHRALDH1A1AOC3NPC1
SCHEMBL8857306 0.84 TSHR (0.43) LMNATSHRALDH1A1AOC3NPC1
SCHEMBL24043967 0.82 CARM1 (0.43) LMNATSHRALDH1A1CNR2AOC3
SCHEMBL14141343 0.82 CARM1 (0.51) LMNATSHRALDH1A1NPC1RAB9A
SCHEMBL7272839 0.81 HDAC6 (0.44) TSHRALDH1A1
SCHEMBL7397101 0.80 AOC3 (0.53) AOC3NPC1RAB9A
SCHEMBL16708762 0.80 USP2 (0.42) LMNATSHRALDH1A1MAPK1KDM4E
SCHEMBL5013428 0.80 KCNH2 (0.46) CNR2
SCHEMBL8415458 0.79 TSHR (0.48) LMNATSHRALDH1A1CNR2AOC3
SCHEMBL7087904 0.79 TSHR (0.41) LMNATSHRALDH1A1AOC3MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107827817-B Method for synthesizing formamide derivative through molybdenum catalytic formylation reaction 湘潭大学 2020-03-13 CN claimed
CN-107827816-B Method for synthesizing formamide derivative through graphene oxide catalytic formylation reaction 湘潭大学 2020-01-10 CN claimed
CN-107892670-B Method for synthesizing formamide derivative through cobalt-catalyzed formylation reaction 湘潭大学 2019-12-13 CN claimed
EP-1790639-B1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS CXCR4-ANTAGONISTS ONO PHARMACEUTICAL CO (JP) 2014-03-26 EP claimed
US-7951816-B2 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-05-31 US claimed
US-5916898-A ANTIFIBROPROLIFERTIVE, ENZYME INHIBITORS OF PYROLYL 4-HYDROXYLASE, ANTIARTHRITIC AGENTS ZENECA LIMITED (GB) 1999-06-29 US claimed
CN-107827817-B Method for synthesizing formamide derivative through molybdenum catalytic formylation reaction 湘潭大学 2020-03-13 CN disclosed
CN-107827816-B Method for synthesizing formamide derivative through graphene oxide catalytic formylation reaction 湘潭大学 2020-01-10 CN disclosed
CN-107892670-B Method for synthesizing formamide derivative through cobalt-catalyzed formylation reaction 湘潭大学 2019-12-13 CN disclosed
US-9234000-B2 Benzylamine derivatives as inhibitors of plasma kallikrein KALVISTA PHARMACEUTICALS LIMITED (GB) 2016-01-12 US disclosed
US-9234000-B2 Benzylamine derivatives as inhibitors of plasma kallikrein KALVISTA PHARMACEUTICALS LIMITED (GB) 2016-01-12 US disclosed
US-20150225450-A1 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LTD (GB) 2015-08-13 US disclosed
US-20150225450-A1 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LTD (GB) 2015-08-13 US disclosed
US-5578620-A TREATMENT OF DIABETES AND HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 1996-11-26 US disclosed
WO-1995034540-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-12-21 WO disclosed
EP-0678511-A2 Thiazolidine and oxazolidine derivatives, their preparation and their medical use SANKYO COMPANY LIMITED (JP) 1995-10-25 EP disclosed
CN-1091288-A The oxytocin antagonist OTSUKA PHARMA CO LTD (JP) 1994-08-31 CN disclosed
EP-0171217-B1 FUSED-RING HETEROCYCLIC COMPOUNDS A PROCESS FOR THEIR PRODUCTION AND THEIR PHARMACEUTICAL USE SANKYO COMPANY LIMITED (JP) 1989-05-03 EP disclosed
US-4716162-A BRAIN FUNCTION SANKYO COMPANY, LIMITED (JP) 1987-12-29 US disclosed
EP-0171217-A2 Fused-ring heterocyclic compounds a process for their production and their pharmaceutical use SANKYO COMPANY LIMITED (JP) 1986-02-12 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-20150225450-A1 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK1, BDKRB1 LMNA 635/4885TSHR 2802/4885ALDH1A1 1412/4885

“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.