SCHEMBL4136570

SCHEMBL4136570

NC[C@@H](O)CCNS(=O)(=O)c1ccc(F)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 15/20 0.49
CCR1 P32246 1/20 0.45
GBA1 P04062 1/20 0.44
TDO2 P48775 1/20 0.40
BMP1 P13497 1/20 0.39
MGAM O43451 1/20 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
SCHEMBL5447814 0.87 GBA1 (0.59) TRPV4CCR1GBA1TDO2
SCHEMBL5447807 0.87 GBA1 (0.59) TRPV4CCR1GBA1TDO2
SCHEMBL14360846 0.80 CCR1 (0.52) TRPV4CCR1TDO2MGAM
SCHEMBL4132403 0.79 BRD4 (0.46) TRPV4CCR1BMP1MGAM
SCHEMBL4141122 0.79 CYP3A4 (0.56) TRPV4CCR1TDO2
SCHEMBL4140210 0.73 BMP1 (0.45) TRPV4CCR1GBA1BMP1
SCHEMBL4140203 0.73 ADAM17 (0.42) TRPV4CCR1GBA1BMP1
SCHEMBL13872427 0.73 HTT (0.45) TRPV4CCR1BMP1
SCHEMBL5433686 0.73 GBA1 (0.55) TRPV4CCR1GBA1
SCHEMBL14360908 0.73 GBA1 (0.55) TRPV4CCR1GBA1

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
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 US disclosed
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 US disclosed
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 US disclosed
WO-2007030761-A2 ACYCLIC 1,4-DIAMINES AND USES THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 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-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof TRPV4, TRPC4, TRPV1 TRPV4 1/4885CCR1 766/4885GBA1 1687/4885

“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.