SCHEMBL5206981

SCHEMBL5206981

COc1ccc(-c2ccnc(CCC(=O)O)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NPC1 O15118 2/20 0.51
LMNA P02545 3/20 0.51
ATM Q13315 1/20 0.51
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
FFAR1 O14842 2/20 0.48
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LTB4R Q15722 1/20 0.46
PPARD Q03181 1/20 0.46
GAA P10253 2/20 0.46

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
SCHEMBL3732040 0.80 NPC1 (0.59) MAPTMEN1KMT2ANPC1LMNA
SCHEMBL2759646 0.78 NPC1 (0.58) MAPTMEN1KMT2ANPC1CASP3
SCHEMBL28351671 0.78 MAPT (0.60) MAPTMEN1KMT2ANPC1LMNA
SCHEMBL28172787 0.78 LTA4H (0.51) MAPTMEN1KMT2ANPC1LMNA
SCHEMBL7831016 0.77 LTB4R (0.47) MAPTMEN1KMT2ANPC1ALDH1A1
SCHEMBL4901279 0.73 MAPT (0.71) MAPTMEN1KMT2ANPC1LMNA
SCHEMBL4901196 0.73 MAPT (0.71) MAPTMEN1KMT2ANPC1LMNA
SCHEMBL7452503 0.72 NPC1 (0.62) MAPTMEN1KMT2ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL26649560 0.72 MAPT (0.59) MAPTMEN1KMT2ANPC1LMNA
SCHEMBL25002894 0.71 KMT2A (0.56) MAPTMEN1KMT2ANPC1LMNA

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 9 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
EP-1131288-A1 PYRROLIDINE DERIVATIVES-CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-09-12 EP disclosed
US-6166015-A Pyrrolidine derivatives-CCR-3 receptor antagonists SYNTEX (U.S.A.) INC. (US) 2000-12-26 US disclosed
WO-2000031032-A1 PYRROLIDINE DERIVATIVES-CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-02 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 (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 MAPT 3771/4885MEN1 4781/4885KMT2A 3324/4885
US-20020198255-A1 2,4-substituted pyrrolidine derivatives-CCR-3 receptor antagonists CCR3, CCR1, CCR4 MAPT 3771/4885MEN1 4781/4885KMT2A 3324/4885

“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.