SCHEMBL6441529

SCHEMBL6441529

Nc1cc(Cl)ccc1OCC(=O)N1CCC(Oc2ccc(F)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.54
HTT P42858 3/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
GAA P10253 2/20 0.47
HPGD P15428 2/20 0.47
TSHR P16473 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MAPT P10636 1/20 0.47
ALOX12 P18054 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MLNR O43193 2/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
ATF4 P18848 1/20 0.44
FKBP1A P62942 1/20 0.44

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
SCHEMBL6442744 0.88 EPHX2 (0.52) EPHX2HTTSMN1; SMN2GAAHPGD
SCHEMBL13282788 0.88 KMT2A (0.45) EPHX2HTTSMN1; SMN2GAAHPGD
SCHEMBL2798799 0.85 CCR1 (0.58) EPHX2HTTSMN1; SMN2GAAHPGD
SCHEMBL6442642 0.85 CCR1 (0.55) EPHX2HTTSMN1; SMN2GAAHPGD
SCHEMBL6443342 0.85 POLB (0.60) EPHX2HTTSMN1; SMN2GAAHPGD
SCHEMBL2796876 0.84 EPHX2 (0.46) EPHX2HTTSMN1; SMN2HPGDNPSR1
SCHEMBL6439747 0.84 KDM4E (0.65) EPHX2HTTSMN1; SMN2GAAHPGD
SCHEMBL5671909 0.84 HSD11B1 (0.56) HTTSMN1; SMN2GAAHPGDTSHR
SCHEMBL6455209 0.79 EPHX2 (0.52) EPHX2SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6259280 0.76 ALDH1A1 (0.67) HTTSMN1; SMN2GAAHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010077915-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-08 WO disclosed
EP-1534677-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1ALPHA BINDING TO ITS RECEPTOR CCR1 Pfizer Products Inc. (US) 2005-06-01 EP disclosed
US-20040063759-A1 Novel piperidine derivatives PFIZER INC. 2004-04-01 US disclosed
WO-2004009550-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1ALPHA BINDING TO ITS RECEPTOR CCR1 PFIZER PRODUCTS INC. (US) 2004-01-29 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-20040063759-A1 Novel piperidine derivatives CCR1, CCR3, CCR2 EPHX2 3153/4885HTT 4825/4885SMN1; SMN2 4508/4885

“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.