SCHEMBL5131686

SCHEMBL5131686

CCCC(NC(C)C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.46
AKR1A1 P14550 1/20 0.46
CHRM3 P20309 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
ADRA1A P35348 1/20 0.46
HRH1 P35367 1/20 0.46
DRD3 P35462 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
FPR2 P25090 1/20 0.40
MME P08473 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
FOLH1 Q04609 2/20 0.38
NAALAD2 Q9Y3Q0 2/20 0.38

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
SCHEMBL5131687 1.00 CHRM1 (0.46) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL16750050 1.00 CHRM1 (0.46) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL10735795 0.88 CHRM1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3898059 0.87 CA2 (0.47) HDAC2MMENOD1SLC1A3SLC1A2
SCHEMBL13392452 0.87 CA2 (0.47) HDAC2MMENOD1SLC1A3SLC1A2
SCHEMBL5940872 0.84 CHRM1 (0.44) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3836127 0.84 CHRM1 (0.44) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3836129 0.84 CHRM1 (0.44) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL15375770 0.84 CHRM1 (0.44) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL27767453 0.84 CHRM1 (0.44) CHRM1AKR1A1CHRM3HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207712-A1 THIAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC. 2008-08-28 US claimed
EP-1735292-A1 THIAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-12-27 EP claimed
US-20060084689-A1 Thiazole-amine compounds for the treatment of neurodegenerative disorders PFIZER INC. 2006-04-20 US claimed
WO-2005095367-A1 THIAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2005-10-13 WO claimed
US-20240200049-A1 COMPOSITIONS AND METHODS OF USE THEREOF FOR MAKING POLYPEPTIDES WITH MANY INSTANCES OF NONSTANDARD AMINO ACIDS YALE UNIVERSITY 2024-06-20 US disclosed
US-11649446-B2 Compositions and methods of use thereof for making polypeptides with many instances of nonstandard amino acids YALE UNIVERSITY (US) 2023-05-16 US disclosed
US-20210179580-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PD1/PD-L1 ACTIVATION Jubilant Prodel LLC 2021-06-17 US disclosed
US-20200190500-A1 COMPOSITIONS AND METHODS OF USE THEREOF FOR MAKING POLYPEPTIDES WITH MANY INSTANCES OF NONSTANDARD AMINO ACIDS YALE UNIVERSITY 2020-06-18 US disclosed
US-20160355802-A1 Compositions and Methods Of Use Thereof For Making Polypeptides With Many Instances Of Nonstandard Amino Acids YALE UNIVERSITY 2016-12-08 US disclosed
US-20080207712-A1 THIAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC. 2008-08-28 US disclosed
US-7384968-B2 Thiazole-amine compounds for the treatment of neurodegenerative disorders PFIZER INC. (US) 2008-06-10 US disclosed
EP-1735292-A1 THIAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-12-27 EP disclosed
US-20060084689-A1 Thiazole-amine compounds for the treatment of neurodegenerative disorders PFIZER INC. 2006-04-20 US disclosed
WO-2005095367-A1 THIAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2005-10-13 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 (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-20210179580-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PD1/PD-L1 ACTIVATION PDCD1, CD274, PDCD1LG2 CHRM1 1599/4885AKR1A1 444/4885CHRM3 4616/4885
US-20080207712-A1 THIAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS APP, PSEN1, BACE1 CHRM1 20/4885AKR1A1 511/4885CHRM3 164/4885
US-20060084689-A1 Thiazole-amine compounds for the treatment of neurodegenerative disorders APP, PSEN1, BACE1 CHRM1 20/4885AKR1A1 511/4885CHRM3 164/4885

“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.