SCHEMBL4594933

SCHEMBL4594933

O=C(O)N(C1CC1)C1CNC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 3/20 0.35
TSHR P16473 2/20 0.35
SLC6A11 P48066 2/20 0.35
SLC6A13 Q9NSD5 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CTSD P07339 1/20 0.33
SLC6A2 P23975 5/20 0.31
SLC6A4 P31645 5/20 0.31
CYP2D6 P10635 2/20 0.31
KCNH2 Q12809 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
GABRA5 P31644 2/20 0.31
GABRB2 P47870 2/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31

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
SCHEMBL17699940 0.86 SLC6A1 (0.47) SLC6A1TSHRSLC6A11SLC6A13LMNA
SCHEMBL27905543 0.85 SLC6A2 (0.43) SLC6A1TSHRSLC6A11SLC6A13SLC6A2
SCHEMBL5023299 0.85 SLC6A2 (0.43) SLC6A1TSHRSLC6A11SLC6A13SLC6A2
SCHEMBL27905533 0.85 SLC6A2 (0.43) SLC6A1TSHRSLC6A11SLC6A13SLC6A2
SCHEMBL14723183 0.81 GABRA5 (0.46) SLC6A1TSHRSLC6A11SLC6A13LMNA
SCHEMBL25306928 0.79 SLC6A4 (0.49) SLC6A1TSHRSLC6A11SLC6A13LMNA
SCHEMBL4167603 0.79 SLC6A4 (0.49) SLC6A1TSHRSLC6A11SLC6A13LMNA
SCHEMBL3235890 0.77 SMN1; SMN2 (0.36) SMN1; SMN2KDM4E
SCHEMBL6800002 0.76 LMNA (0.38) LMNACYP2D6CHRNA7KMT2A
SCHEMBL6800001 0.76 LMNA (0.38) LMNACYP2D6CHRNA7KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101312979-A Pyrimidine compounds for the treatment of inflammatory disorders CELLZOME UK LTD (GB) 2008-11-26 CN disclosed
US-20080261946-A1 Pyrimidine Compounds for the Treatment of Inflammatory Disorders CELLZOME (UK) LTD. (GB) 2008-10-23 US disclosed
EP-1945646-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS Cellzome (UK) Ltd. (GB) 2008-07-23 EP disclosed
WO-2007039467-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS CELLZOME (UK) LTD. (GB) 2007-04-12 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 (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-20080261946-A1 Pyrimidine Compounds for the Treatment of Inflammatory Disorders HRH4, HRH3, HRH2 SLC6A1 4197/4885TSHR 2954/4885SLC6A11 3987/4885

“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.