SCHEMBL328991

SCHEMBL328991

CCCC(N)C(O)C(=O)NC1CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.43
METAP1 P53582 3/20 0.41
METAP2 P50579 9/20 0.40
LMNA P02545 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
MME P08473 1/20 0.36
ANPEP P15144 1/20 0.36
DNPEP Q9ULA0 1/20 0.36
GPR88 Q9GZN0 1/20 0.35

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
SCHEMBL3045972 1.00 SMYD3 (0.43) SMYD3METAP1METAP2LMNABLM
SCHEMBL329193 1.00 SMYD3 (0.43) SMYD3METAP1METAP2LMNABLM
SCHEMBL13058644 1.00 SMYD3 (0.43) SMYD3METAP1METAP2LMNABLM
SCHEMBL2331995 1.00 SMYD3 (0.43) SMYD3METAP1METAP2LMNABLM
SCHEMBL13201892 1.00 SMYD3 (0.43) SMYD3METAP1METAP2LMNABLM
SCHEMBL329101 1.00 SMYD3 (0.43) SMYD3METAP1METAP2LMNABLM
Hydrochloric Acid SCHEMBL4205427 0.98 SMYD3 (0.42) SMYD3METAP1METAP2LMNABLM
Hydrochloric Acid SCHEMBL329085 0.98 SMYD3 (0.42) SMYD3METAP1METAP2LMNABLM
Hydrochloric Acid SCHEMBL329165 0.98 SMYD3 (0.42) SMYD3METAP1METAP2LMNABLM
Hydrochloric Acid SCHEMBL29618100 0.98 SMYD3 (0.42) SMYD3METAP1METAP2LMNABLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104812733-A A method for the preparation of 3-amino-n-cyclopropyl-2-hydroxyl-hexanamide JANSSEN PHARMACEUTICA NV 2015-07-29 CN claimed
CN-101454274-B Processes and intermediates for preparing steric compounds VERTEX PHARMA 2014-05-07 CN claimed
CN-103772232-A Method for preparing N-cyclopropyl-3-amino-2-hydroxyhexanamide and derivate thereof SHANGHAI DESANO CHEMICAL PHARM 2014-05-07 CN claimed
US-20130131359-A1 PROCESSES AND INTERMEDIATES FOR PREPARING STERIC COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-23 US claimed
US-8440862-B2 Process for preparing β-amino-α-hydroxycarboxamides EVONIK DEGUSSA GMBH (DE) 2013-05-14 US claimed
US-8383858-B2 Processes and intermediates for preparing steric compounds VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-26 US claimed
CN-102702016-A Method for preparing 3-amino-N-cyclopropyl-2-hydroxyhexanamide Zhejiang xinhua pharmaceutical co ltd 2012-10-03 CN claimed
CN-102702015-A Preparation method of (2S, 3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide hydrochloride Zhejiang xinhua pharmaceutical co ltd 2012-10-03 CN claimed
CN-102659618-A Chiral intermediate (S, S)-3-amino-N-cyclopropyl-2-hydroxyalkanamide or its salt and preparation method thereof CHONGQING PORTON PHARMACEUTICAL TECHNOLOGY CO LTD 2012-09-12 CN claimed
EP-2407448-A2 Processes and intermediates for preparing steric compounds VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-18 EP claimed
US-20100298568-A1 Processes and intermediates for preparing steric compounds VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-25 US claimed
CN-101454274-A Processes and intermediates for preparing steric compounds VERTEX PHARMA (US) 2009-06-10 CN claimed
EP-1993993-A1 PROCESSES AND INTERMEDIATES FOR PREPARING STERIC COMPOUNDS Vertex Pharmaceuticals Incorporated (US) 2008-11-26 EP claimed
US-20070244334-A1 Processes and intermediates for preparing steric compounds VERTEX PHARMACEUTICALS INCORPORATED 2007-10-18 US claimed
WO-2007109023-A1 PROCESSES AND INTERMEDIATES FOR PREPARING STERIC COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-27 WO claimed
CN-105085310-B New synthesis method of telaprevir intermediate 重庆汇智药物研究院有限公司 2017-05-10 CN disclosed
CN-105085310-B New synthesis method of telaprevir intermediate 重庆汇智药物研究院有限公司 2017-05-10 CN disclosed
US-20050119189-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED 2005-06-02 US disclosed
WO-2005035525-A2 2-AMIDO-4-ARYLOXY-1-CARBONYLPYRROLIDINE DERIVATIVES AS INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-04-21 WO disclosed
WO-2005028502-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS, INCORPORATED (US) 2005-03-31 WO 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-20100298568-A1 Processes and intermediates for preparing steric compounds REV1, HSD11B1, CYP11B1 SMYD3 4359/4885METAP1 349/4885METAP2 1514/4885
US-20050119189-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease PRSS1, SERPINB1, SPINT2 SMYD3 2822/4885METAP1 57/4885METAP2 277/4885
US-20070244334-A1 Processes and intermediates for preparing steric compounds REV1, HSD11B1, CYP11B1 SMYD3 4359/4885METAP1 349/4885METAP2 1514/4885
US-20130131359-A1 PROCESSES AND INTERMEDIATES FOR PREPARING STERIC COMPOUNDS REV1, HSD11B1, CYP11B1 SMYD3 4359/4885METAP1 349/4885METAP2 1514/4885

“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.