SCHEMBL6076440

SCHEMBL6076440

COC(=O)Cc1cc(Cl)cnc1Cl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
ALDH1A1 P00352 4/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HSP90AB1 P08238 1/20 0.40
LMNA P02545 3/20 0.39
MAPT P10636 4/20 0.38
POLB P06746 1/20 0.38
NR4A1 P22736 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
ACLY P53396 1/20 0.36
AKR1C3 P42330 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL30364398 0.84 LMNA (0.43) HPGDALDH1A1NPC1RAB9AHSP90AB1
SCHEMBL28942777 0.84 LMNA (0.43) HPGDALDH1A1NPC1RAB9AHSP90AB1
SCHEMBL23243202 0.74 HPGD (0.42) HPGDALDH1A1NPC1RAB9AHSP90AB1
SCHEMBL10289728 0.74 HPGD (0.37) HPGDALDH1A1LMNAL3MBTL1MEN1
SCHEMBL5006253 0.73 SETDB1 (0.49) LMNAMAPTPOLBTDP1L3MBTL1
SCHEMBL3710578 0.73 ALDH1A1 (0.50) HPGDALDH1A1NPC1RAB9AHSP90AB1
SCHEMBL17384352 0.73 ALDH1A1 (0.40) HPGDALDH1A1NPC1RAB9AHSP90AB1
SCHEMBL4126633 0.73 P2RX7 (0.45) ALDH1A1NPC1RAB9ALMNAMAPT
SCHEMBL10325771 0.73 LMNA (0.38) ALDH1A1LMNAMAPTTDP1MEN1
SCHEMBL7133160 0.72 MAPT (0.49) ALDH1A1HSP90AB1LMNAMAPTPOLB

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 HPGD 1457/4885ALDH1A1 238/4885NPC1 208/4885
US-20040034034-A1 Novel piperazine derivatives CCR1, CCRL2, CCR5 HPGD 2160/4885ALDH1A1 373/4885NPC1 232/4885

“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.