SCHEMBL3551415

SCHEMBL3551415

CCCCCC(=O)NC1CC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.72
GNAO1 P09471 1/20 0.72
GNAI1 P63096 1/20 0.72
MEN1 O00255 1/20 0.68
ALDH1A1 P00352 1/20 0.68
MAPT P10636 1/20 0.68
HPGD P15428 1/20 0.68
KMT2A Q03164 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.67
CNR2 P34972 7/20 0.60
CNR1 P21554 6/20 0.60
TRPV1 Q8NER1 4/20 0.59
HDAC3 O15379 2/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
NCOR2 Q9Y618 1/20 0.56

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
Hexadecanoic Acid Cyclopropylamide SCHEMBL1456457 0.98 GNAI3 (0.75) GNAI3GNAO1GNAI1MEN1ALDH1A1
SCHEMBL1234276 0.98 GNAI3 (0.75) GNAI3GNAO1GNAI1MEN1ALDH1A1
SCHEMBL28340804 0.98 GNAI3 (0.75) GNAI3GNAO1GNAI1MEN1ALDH1A1
SCHEMBL8361102 0.98 GNAI3 (0.75) GNAI3GNAO1GNAI1MEN1ALDH1A1
SCHEMBL11571826 0.98 GNAI3 (0.75) GNAI3GNAO1GNAI1MEN1ALDH1A1
SCHEMBL1457137 0.98 GNAI3 (0.75) GNAI3GNAO1GNAI1MEN1ALDH1A1
SCHEMBL3309908 0.94 MEN1 (0.65) GNAI3GNAO1GNAI1MEN1ALDH1A1
SCHEMBL9019501 0.93 GNAI3 (0.64) GNAI3GNAO1GNAI1MEN1ALDH1A1
SCHEMBL9019502 0.93 GNAI3 (0.64) GNAI3GNAO1GNAI1MEN1ALDH1A1
SCHEMBL17335659 0.92 SMN1; SMN2 (0.74) GNAI3GNAO1GNAI1MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101186587-A Method for synthesizing derivative of beta-amino acid and intermediate product thereof KAILAIYING MEDICAL CHEMICAL TI (CN) 2008-05-28 CN claimed
CN-110643833-B Extraction system for separating magnesium from magnesium-containing brine by using secondary amide/tertiary amide composite solvent and extracting lithium, extraction method and application thereof 湘潭大学 2021-04-20 CN disclosed
CN-110656249-B Extraction system for separating magnesium from magnesium-containing brine by using secondary amide/alkane composite solvent, extraction method and application thereof 湘潭大学 2021-03-23 CN disclosed
CN-110643833-A Extraction system for separating magnesium from magnesium-containing brine by using secondary amide/tertiary amide composite solvent and extracting lithium, extraction method and application thereof 湘潭大学 2020-01-03 CN disclosed
US-20160122386-A1 V1A RECEPTOR AGONISTS OCELOT BIO, INC. 2016-05-05 US disclosed
CN-101454274-B Processes and intermediates for preparing steric compounds VERTEX PHARMA 2014-05-07 CN disclosed
CN-102639499-A Processes and intermediates VERTEX PHARMA INC 2012-08-15 CN disclosed
CN-101186587-B Method for synthesizing derivative of beta-amino acid and intermediate product thereof KAILAIYING MEDICAL CHEMICAL TIANJIN CO LTD 2010-04-21 CN disclosed
US-7696250-B2 Alpha ketoamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2010-04-13 US disclosed
US-20090170909-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY, INC. (US) 2009-07-02 US disclosed
CN-101454274-A Processes and intermediates for preparing steric compounds VERTEX PHARMA (US) 2009-06-10 CN disclosed
CN-101186587-A Method for synthesizing derivative of beta-amino acid and intermediate product thereof KAILAIYING MEDICAL CHEMICAL TI (CN) 2008-05-28 CN 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 (2 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-20090170909-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CTSS, CTSF, CTSB GNAI3 4218/4885GNAO1 4626/4885GNAI1 3963/4885
US-20160122386-A1 V1A RECEPTOR AGONISTS AVPR2, AVPR1A, AVPR1B GNAI3 882/4885GNAO1 564/4885GNAI1 589/4885

“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.