SCHEMBL13198822

SCHEMBL13198822

CCCN1CCC(NCC)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.41
EPHX1 P07099 1/20 0.38
EPHX2 P34913 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DRD2 P14416 3/20 0.38
DRD3 P35462 2/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 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
SCHEMBL9699034 0.89 GNAI3 (0.44) EPHX1EPHX2DRD2DRD3DRD1
SCHEMBL22878502 0.88 PABPC1 (0.46) PABPC1EPHX1EPHX2L3MBTL1DRD2
SCHEMBL9146256 0.83 BCHE (0.39) EPHX1EPHX2BCHEACHEBACE1
SCHEMBL26876965 0.83 BCHE (0.39) EPHX1EPHX2BCHEACHEBACE1
SCHEMBL20028208 0.83 BCHE (0.39) EPHX1EPHX2BCHEACHEBACE1
SCHEMBL18236738 0.82 KDM1A (0.42) PABPC1BCHEACHEBACE1
SCHEMBL12995614 0.82 HRH2 (0.43) PABPC1EPHX1EPHX2L3MBTL1DRD2
SCHEMBL13874921 0.82 HRH2 (0.43) PABPC1EPHX1EPHX2L3MBTL1DRD2
SCHEMBL16380998 0.82 HRH2 (0.43) PABPC1EPHX1EPHX2L3MBTL1DRD2
Hydrochloric Acid SCHEMBL9640713 0.82 BCHE (0.38) EPHX1EPHX2BCHEACHEBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108727343-A Quinazolinones PARP-1/2 inhibitor containing 3- amino nafoxidines and preparation method thereof, pharmaceutical composition and purposes 中国医学科学院药物研究所 2018-11-02 CN disclosed
US-7767681-B2 2-Carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-08-03 US disclosed
US-7767681-B2 2-Carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-08-03 US disclosed
US-20070179126-A1 2-carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2007-08-02 US disclosed
US-20070179126-A1 2-carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2007-08-02 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 (1 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-20070179126-A1 2-carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof UGT2B7, PKD2, CYP2C19 PABPC1 2783/4885EPHX1 2673/4885EPHX2 2106/4885

“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.