SCHEMBL295163

SCHEMBL295163

[C-]#[N+]CC(=O)N1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BPTF Q12830 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36

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
SCHEMBL2696686 0.98 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2ATML3MBTL1GAA
Pyrrolidine SCHEMBL4931392 0.88 CA2 (0.42) ALDH1A1SMN1; SMN2ATML3MBTL1GAA
SCHEMBL4880196 0.82 KMT2A (0.48) L3MBTL1TDP1KMT2AHTT
SCHEMBL4212544 0.82 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2ATMGAATDP1
SCHEMBL4219173 0.80 FAAH (0.39) ALDH1A1SMN1; SMN2ATMTDP1MEN1
SCHEMBL2696781 0.80 L3MBTL1 (0.53) ALDH1A1SMN1; SMN2L3MBTL1GAAMEN1
SCHEMBL4216418 0.80 TDP1 (0.46) SMN1; SMN2L3MBTL1TDP1KMT2AHTT
SCHEMBL4870186 0.79 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL10063641 0.76 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2ATML3MBTL1GAA
SCHEMBL14477743 0.74 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2ATML3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116874433-A Pyrimidine compound and synthetic method and application thereof 上海应用技术大学 2023-10-13 CN claimed
CN-116874433-A Pyrimidine compound and synthetic method and application thereof 上海应用技术大学 2023-10-13 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-9828349-B2 1-aryl-1-hydroxy-2,3-diamino-propyl amines, 1-heteroaryl-1-hydroxy-2,3-diamino-propyl amines and related compounds having analgesic and/or immuno stimulant activity EXONHIT THERAPEUTICS SA (FR) 2017-11-28 US disclosed
US-9828349-B2 1-aryl-1-hydroxy-2,3-diamino-propyl amines, 1-heteroaryl-1-hydroxy-2,3-diamino-propyl amines and related compounds having analgesic and/or immuno stimulant activity EXONHIT THERAPEUTICS SA (FR) 2017-11-28 US disclosed
US-9505766-B2 Kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-29 US disclosed
US-9399628-B2 1-aryl-1-hydroxy-2,3-diamino-propyl amines, 1-heteroaryl-1-hydroxy-2,3-diamino-propyl amines and related compounds having analgesic and/or immuno stimulant activity ALLERGAN, INC. (US) 2016-07-26 US disclosed
US-9399628-B2 1-aryl-1-hydroxy-2,3-diamino-propyl amines, 1-heteroaryl-1-hydroxy-2,3-diamino-propyl amines and related compounds having analgesic and/or immuno stimulant activity ALLERGAN, INC. (US) 2016-07-26 US disclosed
US-9314466-B2 Methods for treating cognitive disorders using 1-benzyl-1-hydroxy-2,3-diamino-propyl amines, 3-benzyl-3-hydroxy-2-amino-propionic acid amides and related compounds ALLERGAN, INC. (US) 2016-04-19 US disclosed
US-9314466-B2 Methods for treating cognitive disorders using 1-benzyl-1-hydroxy-2,3-diamino-propyl amines, 3-benzyl-3-hydroxy-2-amino-propionic acid amides and related compounds ALLERGAN, INC. (US) 2016-04-19 US disclosed
EP-1841423-A2 USE OF 1- BENZYL-1- HYDROXY-2, 3-DIAMINO-PROPYL AMINES, 3-BENZYL-3 HYDROXY-2-AMINO PROPIONIC ACID AMIDES AND RELATED COMPOUNDS AS ANALGESICS Allergan, Inc. (US) 2007-10-10 EP disclosed
EP-1841742-A1 3-HETEROARYL-3-HYDROXY-2-AMINO-PROPYL AMINES AND RELATED COMPOUNDS HAVING ANALGESIC AND/OR IMMUNO STIMULANT ACTIVITY Allergan, Inc. (US) 2007-10-10 EP disclosed
EP-1841743-A1 3-ARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES, 3-HETEROARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS HAVING ANALGESIC AND/OR IMMUNO STIMULANT ACTIVITY Allergan, Inc. (US) 2007-10-10 EP disclosed
WO-2006081252-A2 USE OF 1-BENZYL-1-HYDR0XY-2, 3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS AS ANALGESICS ALLERGAN, INC. (US) 2006-08-03 WO disclosed
WO-2006081273-A1 3-ARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES, 3-HETEROAYRYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS HAVING ANALGESIC AND/OR IMMUNOSTIMULANT ACTIVITY ALLERGAN, INC. (US) 2006-08-03 WO disclosed
WO-2006081276-A1 3-HETEROARYL-3-HYDROXY-2-AMINO-PROPYL AMINES AND RELATED COMPOUNDS HAVING ANALGESIC AND/OR IMMUNO STIMULANT ACTIVITY ALLERGAN, INC. (US) 2006-08-03 WO disclosed
US-7041831-B2 Diastereoselective synthesis of UDP-glucose: N-acylsphingosine glucosyltransferase inhibitors GENZYME CORPORATION (US) 2006-05-09 US disclosed
US-20050075381-A1 Diastereoselective synthesis of UDP-glucose: N-acylsphingosine glucosyltransferase inhibitors HIRTH BRADFORD H (US) 2005-04-07 US disclosed
US-6835831-B2 Efficient synthesis of ceramide-like compounds by reacting an aldehyde and an amidomethylisonitrile to form a 4-amido-2-oxazoline; suppress biosynthesis of glycosphingolipids; antitumor agents; Tays-Sach, Gaucher's GENZYME CORPORATION 2004-12-28 US disclosed
US-20030153768-A1 Diastereoselective synthesis of UDP-glucose: N-acylsphingosine glucosyltransferase inhibitors GENZYME CORPORATION 2003-08-14 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 (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-20050075381-A1 Diastereoselective synthesis of UDP-glucose: N-acylsphingosine glucosyltransferase inhibitors UGGT1, UGCG, OGT ALDH1A1 183/4885SMN1; SMN2 3407/4885ATM 3429/4885
US-20030153768-A1 Diastereoselective synthesis of UDP-glucose: N-acylsphingosine glucosyltransferase inhibitors UGGT1, OGT, UGCG ALDH1A1 177/4885SMN1; SMN2 3458/4885ATM 3508/4885

“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.