SCHEMBL3096933

SCHEMBL3096933

COC(=O)C1CCOc2cc(Cl)c(Cl)cc2C1O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.39
MAP3K14 Q99558 1/20 0.38
SLC6A3 Q01959 3/20 0.38
SLC6A2 P23975 1/20 0.38
PTGDR2 Q9Y5Y4 6/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34

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
SCHEMBL17571830 0.87 PTGDR2 (0.36) MAP3K14PTGDR2
SCHEMBL17571869 0.83 SLC6A4 (0.36) SLC6A4MAP3K14SLC6A3SLC6A2PTGDR2
SCHEMBL1569835 0.73 PTGDR2 (0.42) PTGDR2
SCHEMBL913653 0.71 KDM4E (0.35) SLC6A4SLC6A3SLC6A2PTGDR2KDM4E
SCHEMBL7388883 0.71 MAP3K14 (0.52) MAP3K14KDM4EALDH1A1
SCHEMBL5161004 0.69 PTGDR2 (0.51) PTGDR2
SCHEMBL7377008 0.68 HTR1A (0.44) KDM4EALDH1A1SMN1; SMN2
SCHEMBL1805783 0.68 TRPV1 (0.42) PTGDR2
SCHEMBL1805781 0.68 TRPV1 (0.42) PTGDR2
SCHEMBL7527688 0.68 KDM4C (0.41) SLC6A2ALDH1A1NPC1RAB9ASMN1; SMN2

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
EP-1765803-B1 QUATERNARY SALT CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-03-09 EP disclosed
US-7799824-B2 Quaternary salt CCR2 antagonists ORAPHARMA, INC. (US) 2010-09-21 US disclosed
EP-1765803-A1 QUATERNARY SALT CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-28 EP disclosed
US-20060293379-A1 Quaternary salt CCR2 antagonists KENVUE BRANDS LLC 2006-12-28 US disclosed
WO-2006012135-A1 QUATERNARY SALT CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA, N. V. (BE) 2006-02-02 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-20060293379-A1 Quaternary salt CCR2 antagonists CCR2, CCR1, CXCR2 SLC6A4 3004/4885MAP3K14 1147/4885SLC6A3 2588/4885

“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.