SCHEMBL6076008

SCHEMBL6076008

O=C1c2ccccc2C(=O)N1Cc1cc(Cl)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.62
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
HTT P42858 3/20 0.52
ALOX15 P16050 3/20 0.52
HSD17B10 Q99714 2/20 0.52
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
USP2 O75604 2/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
RGS12 O14924 1/20 0.50
RECQL P46063 1/20 0.50
CYP3A4 P08684 2/20 0.49
HPGD P15428 2/20 0.49
HIF1A Q16665 2/20 0.49
CASP3 P42574 1/20 0.49
SLC22A1 O15245 1/20 0.49
HSP90AA1 P07900 1/20 0.49
HSPD1 P10809 1/20 0.49

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
SCHEMBL19667559 0.86 KMT2A (0.57) GRM5MEN1KMT2AHTTALOX15
SCHEMBL9478240 0.85 GRM5 (0.55) GRM5MEN1KMT2AALDH1A1LMNA
SCHEMBL3729290 0.84 GRM5 (0.54) GRM5MEN1KMT2AHTTALOX15
SCHEMBL2558741 0.81 GRM5 (0.52) GRM5CASP3CA12CA1CA2
SCHEMBL29629115 0.81 GRM5 (0.52) GRM5CASP3CA12CA1CA2
SCHEMBL11081773 0.81 MAPT (0.58) GRM5MEN1KMT2AHTTALOX15
SCHEMBL15624560 0.80 MPO (0.50) GRM5MEN1KMT2AHTTALOX15
SCHEMBL31751934 0.79 KMT2A (0.65) MEN1KMT2AHTTUSP2LMNA
SCHEMBL8311470 0.78 ALDH1A1 (0.52) GRM5MEN1KMT2AHTTALOX15
SCHEMBL5957957 0.78 TP53 (0.58) GRM5CASP3

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 12 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-1216257-B1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA PFIZER PROD INC (US) 2005-12-07 EP disclosed
EP-1583533-A1 USE OF PIPERAZINE DERIVATIVES AS CCR1 ANTAGONISTS Pfizer Products Inc. (US) 2005-10-12 EP disclosed
US-6803457-B1 ADENOSINE RECEPTORS; FOR REDUCTION OF TISSUE DAMAGE RESULTING FROM HYPOXIA/CARDIOVASCULAR DISORDERS IN MAMMALS/HUMANS PFIZER, INC. 2004-10-12 US disclosed
US-20040198693-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2004-10-07 US 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
EP-1216257-A1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA Pfizer Products Inc. (US) 2002-06-26 EP disclosed
WO-2001023399-A1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA PFIZER PRODUCTS INC. (US) 2001-04-05 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 (3 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 GRM5 111/4885MEN1 4618/4885KMT2A 4125/4885
US-20040034034-A1 Novel piperazine derivatives CCR1, CCRL2, CCR5 GRM5 151/4885MEN1 4737/4885KMT2A 3932/4885
US-20040198693-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 GRM5 658/4885MEN1 4830/4885KMT2A 4722/4885

“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.