SCHEMBL5208255

SCHEMBL5208255

COC(=O)COc1ncc(Br)cn1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
LMNA P02545 1/20 0.42
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.38
CXCR1 P25024 2/20 0.38
CXCR2 P25025 2/20 0.38
PTGS2 P35354 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
SYK P43405 1/20 0.36
FFAR1 O14842 1/20 0.35

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
SCHEMBL13736023 0.82 TSHR (0.52) TSHRHPGDCYP1A2MAPTSMN1; SMN2
SCHEMBL31119746 0.81 TSHR (0.43) TSHRLMNAMEN1CYP1A2KMT2A
SCHEMBL3179028 0.81 CCNB2 (0.38) TSHRLMNAHPGDMEN1KMT2A
SCHEMBL4203638 0.79 HSP90AB1 (0.40) TSHRLMNAHPGDMEN1CYP1A2
SCHEMBL6029086 0.79 PTGDR2 (0.44) TSHRMEN1KMT2AFFAR1
SCHEMBL2549786 0.77 KDM4E (0.57) TSHRHPGDCXCR1CXCR2MAPT
SCHEMBL31119667 0.77 TSHR (0.47) TSHRLMNAMEN1CYP1A2KMT2A
SCHEMBL31119719 0.76 PTGS2 (0.52) TSHRMEN1CYP1A2KMT2APTGS2
SCHEMBL24259487 0.73 TSHR (0.44) TSHRLMNAHPGDMEN1CYP1A2
SCHEMBL14880635 0.73 DGAT1 (0.43) LMNAKMT2ASMN1; SMN2FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358181-B1 SUBSTITUTED PYRROLIDINES AS CCR-3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-09-26 EP disclosed
EP-1358181-A1 SUBSTITUTED PYRROLIDINES AS CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-11-05 EP disclosed
US-20030199532-A1 2,4-substituted pyrrolidine derivatives-CCR-3 receptor antagonists KERTESZ DENIS JOHN (US) 2003-10-23 US disclosed
US-6552028-B2 Inhibiting the binding of eotaxin to chemokine-3 (ccr-3) receptor; antiasthmatics SYNTEX (U.S.A.) LLC 2003-04-22 US disclosed
US-20020198255-A1 2,4-substituted pyrrolidine derivatives-CCR-3 receptor antagonists SYNTEX (U.S.A.) LLC 2002-12-26 US disclosed
WO-2002050064-A1 SUBSTITUTED PYRROLIDINES AS CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-06-27 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 (2 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-20030199532-A1 2,4-substituted pyrrolidine derivatives-CCR-3 receptor antagonists CCR3, CCR1, CCR4 TSHR 1101/4885LMNA 4209/4885HPGD 1923/4885
US-20020198255-A1 2,4-substituted pyrrolidine derivatives-CCR-3 receptor antagonists CCR3, CCR1, CCR4 TSHR 1101/4885LMNA 4209/4885HPGD 1923/4885

“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.