SCHEMBL3743441

SCHEMBL3743441

CNC(=O)[C@H](N)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
CTSD P07339 1/20 0.48
POLB P06746 2/20 0.47
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
BAZ1A Q9NRL2 1/20 0.46
GLS O94925 4/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
CTRB1 P17538 2/20 0.45
TAAR1 Q96RJ0 1/20 0.44

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
SCHEMBL3638914 1.00 LMNA (0.53) LMNACTSDPOLBROCK2ROCK1
SCHEMBL1515665 1.00 LMNA (0.53) LMNACTSDPOLBROCK2ROCK1
Hydrochloric Acid SCHEMBL14151731 0.98 LMNA (0.51) LMNACTSDPOLBROCK2ROCK1
Hydrochloric Acid SCHEMBL3213616 0.98 LMNA (0.51) LMNACTSDPOLBROCK2ROCK1
Hydrochloric Acid SCHEMBL3213602 0.98 LMNA (0.51) LMNACTSDPOLBROCK2ROCK1
Hydrochloric Acid SCHEMBL6604935 0.96 LMNA (0.50) LMNACTSDPOLBROCK2ROCK1
Hydrochloric Acid SCHEMBL11474237 0.87 TAAR1 (0.54) LMNATAAR1
Dimethylamine SCHEMBL6726772 0.85 POLB (0.59) LMNAPOLBROCK2ROCK1BAZ1A
SCHEMBL11223070 0.82 MAPT (0.56) LMNAKMT2A
SCHEMBL4982071 0.82 POLB (0.66) LMNAPOLBROCK2ROCK1BAZ1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117480161-A Novel 2, 3-dihydro-1H-pyrrolo [3,2-b ] pyridine derivatives as sigma ligands 塔拉森调理公司 2024-01-30 CN disclosed
US-20210284668-A1 GOLD (I)-PHOSPHINE 1,2,3-TRIAZOLE DERIVATIVES WITH ANTIBIOTIC PROPERTIES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-09-16 US disclosed
WO-2019243273-A1 GOLD (I)-PHOSPHINE 1,2,3-TRIAZOLE DERIVATIVES WITH ANTIOBIOTIC PROPERTIES UNIVERSITÉ DE STRASBOURG (FR) 2019-12-26 WO disclosed
EP-3016950-B1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-07 EP disclosed
US-9663529-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-30 US disclosed
US-9663529-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-30 US disclosed
US-20160152627-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 US disclosed
US-20160152627-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 US disclosed
EP-2114867-B1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-12-12 EP disclosed
US-7829563-B2 Aminoamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2010-11-09 US disclosed
CN-101627007-A Aminoamides as orexin antagonists HOFFMANN LA ROCHE 2010-01-13 CN disclosed
WO-2009012375-A2 SQUARATE KINASE INHIBITORS WYETH (US) 2009-01-22 WO disclosed
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-09-11 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 (3 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-20210284668-A1 GOLD (I)-PHOSPHINE 1,2,3-TRIAZOLE DERIVATIVES WITH ANTIBIOTIC PROPERTIES PADI3, PADI1, PADI4 LMNA 4868/4885CTSD 3109/4885POLB 2379/4885
US-20160152627-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 LMNA 1220/4885CTSD 2473/4885POLB 3485/4885
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HCRTR1, HCRTR2, HRH3 LMNA 3364/4885CTSD 3782/4885POLB 4471/4885

“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.