SCHEMBL6076176

SCHEMBL6076176

O=C1COc2ccc(Cl)cc2O1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.54
MAOB P27338 4/20 0.43
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CA2 P00918 1/20 0.39
KMO O15229 1/20 0.39
TERT O14746 1/20 0.38
NOTUM Q6P988 1/20 0.37

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
SCHEMBL29966720 0.73 ABCG2 (0.46) MAOBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL279547 0.73 ABCG2 (0.46) MAOBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL29588977 0.71 AHR (1.00) AHRLMNATP53
SCHEMBL28555079 0.71
SCHEMBL2885125 0.71 AHR (1.00) AHRLMNATP53
SCHEMBL11215846 0.71 AHR (1.00) AHRLMNATP53
SCHEMBL15026854 0.71 DHODH (0.40) MAOBKDM4ENPC1MAPTRAB9A
SCHEMBL29642661 0.71 MAOA (0.54) AHRMAOBCA12CA9CA2
SCHEMBL29114213 0.71 CA12 (0.47) AHRMAOBCA12CA9CA2
SCHEMBL6287157 0.71 MAOA (0.54) AHRMAOBCA12CA9CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7098212-B2 Piperazine derivatives BLUMBERG LAURA C 2006-08-29 US disclosed
EP-1583533-A1 USE OF PIPERAZINE DERIVATIVES AS CCR1 ANTAGONISTS Pfizer Products Inc. (US) 2005-10-12 EP disclosed
EP-1438298-A1 PIPERAZINE DERIVATIVES WITH CCR1 RECEPTOR ANTAGONIST ACTIVITY Pfizer Products Inc. (US) 2004-07-21 EP disclosed
US-20040092529-A1 Methods of using piperazine derivatives PFIZER INC 2004-05-13 US disclosed
WO-2004039376-A1 USE OF PIPERAZINE DERIVATIVES AS CCR1 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2004-05-13 WO disclosed
US-20040034034-A1 Novel piperazine derivatives BLUMBERG LAURA C (US) 2004-02-19 US disclosed
WO-2003035627-A1 PIPERAZINE DERIVATIVES WITH CCR1 RECEPTOR ANTAGONIST ACTIVITY PFIZER PRODUCTS INC. (US) 2003-05-01 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-20040092529-A1 Methods of using piperazine derivatives CCR1, CCR3, CCR5 AHR 374/4885MAOB 2219/4885KDM4E 3422/4885
US-20040034034-A1 Novel piperazine derivatives CCR1, CCRL2, CCR5 AHR 400/4885MAOB 3090/4885KDM4E 3300/4885

“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.