SCHEMBL5203064

SCHEMBL5203064

O=C(O)CCc1ncc(-c2ccc([N+](=O)[O-])cc2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
LMNA P02545 2/20 0.54
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
GAA P10253 1/20 0.54
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
LTB4R Q15722 1/20 0.45
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
FBP1 P09467 1/20 0.43
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
FAAH O00519 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
MMP9 P14780 1/20 0.42

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
SCHEMBL5206304 0.78 HPGD (0.47) MAPTALDH1A1KDM4ELTB4RFAAH
SCHEMBL7831016 0.78 LTB4R (0.47) MAPTALDH1A1LTB4RGABRA1GABRB2
SCHEMBL17983523 0.75 TYMP (0.60) MAPTLMNAKDM4EGABRA1GABRB2
SCHEMBL350869 0.74 TSHR (0.63) MAPTALDH1A1MEN1KMT2ACYP2C19
SCHEMBL11760068 0.74 TSHR (0.54) MAPTALDH1A1POLBMAPK1LTB4R
SCHEMBL9657467 0.74 FFAR1 (0.50) MAPTLMNAALDH1A1GAAPOLB
Bicarbonate SCHEMBL27200925 0.73 MAPK1 (0.68) MAPTLMNAALDH1A1KDM4EGAA
Bicarbonate SCHEMBL1562172 0.73 MAPK1 (0.68) MAPTLMNAALDH1A1KDM4EGAA
SCHEMBL14679930 0.73 MAPT (0.57) MAPTLMNAALDH1A1KDM4EGAA
SCHEMBL5775120 0.72 PPARG (0.46) MAPTALDH1A1POLBMAPK1GABRA1

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 3771/4885LMNA 4209/4885ALDH1A1 2294/4885
US-20020198255-A1 2,4-substituted pyrrolidine derivatives-CCR-3 receptor antagonists CCR3, CCR1, CCR4 MAPT 3771/4885LMNA 4209/4885ALDH1A1 2294/4885

“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.