SCHEMBL5007983

SCHEMBL5007983

C[C@H]1CN(C(=O)O)CCN1C(=O)CNS(=O)(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.39
PTGDR2 Q9Y5Y4 7/20 0.39
TRPV4 Q9HBA0 1/20 0.37
ITGA1 P56199 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
RECQL P46063 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL13994300 0.88 STS (0.45) ALDH1A1MEN1KMT2A
SCHEMBL7995044 0.81 TRPV4 (0.41) CCR1TRPV4TSHRCYP3A4CYP2C9
SCHEMBL4972271 0.80 CCR1 (0.40) CCR1L3MBTL1
SCHEMBL13996613 0.76 TRPV4 (0.56) CCR1TRPV4
SCHEMBL4971362 0.75 CCR1 (0.38) CCR1ITGA1ALDH1A1L3MBTL1MEN1
SCHEMBL4972801 0.75 TRPV4 (0.69) CCR1TRPV4
SCHEMBL5007928 0.75 TRPV4 (0.49) CCR1TRPV4
SCHEMBL4942679 0.72 HPGD (0.62) CCR1PTGDR2ALDH1A1MEN1KMT2A
SCHEMBL4971936 0.71 TRPV4 (0.47) TRPV4MEN1KMT2A
SCHEMBL5004460 0.71 TRPV4 (0.53) CCR1TRPV4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318945-A1 Novel Compounds CASILLAS LINDA N 2008-12-25 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-20080318945-A1 Novel Compounds TRPV4, TRPV1, TRPV3 CCR1 919/4885PTGDR2 402/4885TRPV4 1/4885

“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.