SCHEMBL3141863

SCHEMBL3141863

O=C(O)Cc1cc(Cl)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.61
HPGD P15428 3/20 0.61
MAPT P10636 3/20 0.61
MEN1 O00255 2/20 0.61
CYP3A4 P08684 2/20 0.61
ALOX15 P16050 2/20 0.61
KMT2A Q03164 2/20 0.61
LMNA P02545 2/20 0.61
BLM P54132 2/20 0.61
SLC22A1 O15245 1/20 0.61
USP2 O75604 1/20 0.61
HSP90AA1 P07900 1/20 0.61
HSPD1 P10809 1/20 0.61
HSPA5 P11021 1/20 0.61
IDO1 P14902 1/20 0.61
ALOX12 P18054 1/20 0.61
CASP1 P29466 1/20 0.61
HTT P42858 1/20 0.61
HSPE1 P61604 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61

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
SCHEMBL2394432 0.86 KEAP1 (0.53) HIF1AHPGDMAPTMEN1CYP3A4
SCHEMBL16041940 0.83 KEAP1 (0.54) HIF1AHPGDMAPTMEN1CYP3A4
SCHEMBL10706602 0.83 SRD5A2 (0.50) HIF1AHPGDMAPTMEN1CYP3A4
SCHEMBL1418003 0.82 HIF1A (0.59) HIF1AHPGDMAPTMEN1CYP3A4
SCHEMBL3876954 0.82 HIF1A (0.59) HIF1AHPGDMAPTMEN1CYP3A4
SCHEMBL2578143 0.82 CXCL8 (0.57) MAPTMEN1KMT2ACASP1SMN1; SMN2
SCHEMBL29497752 0.82 CXCL8 (0.57) MAPTMEN1KMT2ACASP1SMN1; SMN2
SCHEMBL10834691 0.81 EGFR (0.51) HIF1AHPGDMAPTMEN1CYP3A4
SCHEMBL10834688 0.81 EGFR (0.51) HIF1AHPGDMAPTMEN1CYP3A4
SCHEMBL868684 0.80 KEAP1 (0.51) MAPTLMNASMN1; SMN2AKR1B1CYP2C9

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081692-A1 Novel 1-Benzyl-4-Piperidinamines that are Useful in the Treatment of COPD and Asthma ASTRAZENECA AB (SE) 2010-04-01 US disclosed
EP-1945613-A1 NOVEL 1 -BENZYL-4-PIPERIDINAMINES THAT ARE USEFUL IN THE TREATMENT OF COPD AND ASTHMA AstraZeneca AB (SE) 2008-07-23 EP disclosed
WO-2007053082-A1 NOVEL 1 -BENZYL-4-PIPERIDINAMINES THAT ARE USEFUL IN THE TREATMENT OF COPD AND ASTHMA ASTRAZENECA AB (SE) 2007-05-10 WO disclosed
US-7098212-B2 Piperazine derivatives BLUMBERG LAURA C 2006-08-29 US disclosed
CN-1708304-A Use of piperazine sulfonic acid derivatives as CCR1 antagonists for the treatment of fibrosis, alzheimer disease and other disorders PFIZER (US) 2005-12-14 CN disclosed
US-6974817-B2 CCR1 receptor antagonists; inhibitors of MIP-1 alpha (CCL3) binding to its receptor CCR1 found on inflammatory and immunomodulatory cells; macrophage inflammatory protein (MIP) PFIZER INC. (US) 2005-12-13 US disclosed
EP-1583533-A1 USE OF PIPERAZINE DERIVATIVES AS CCR1 ANTAGONISTS Pfizer Products Inc. (US) 2005-10-12 EP disclosed
CN-1668592-A Piperidine derivatives and their use as selective inhibitors of MIP-1alpha binding to its receptor CCR1 PFIZER PROD INC (US) 2005-09-14 CN disclosed
EP-1558258-A1 USE OF PIPERAZINE SULFONIC ACID DERIVATIVES AS CCR1 ANTAGONISTS FOR THE TREATMENT OF FIBROSIS, ALZHEIMER DISEASE AND OTHER DISORDERS Pfizer Products Inc. (US) 2005-08-03 EP 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-20040092529-A1 Methods of using piperazine derivatives PFIZER INC 2004-05-13 US disclosed
US-20040063759-A1 Novel piperidine derivatives PFIZER INC. 2004-04-01 US disclosed
US-20040034034-A1 Novel piperazine derivatives BLUMBERG LAURA C (US) 2004-02-19 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
US-20030083335-A1 Novel sulfonic acid derivatives HAYWARD MATTHEW M (US) 2003-05-01 US disclosed
WO-2003035627-A1 PIPERAZINE DERIVATIVES WITH CCR1 RECEPTOR ANTAGONIST ACTIVITY PFIZER PRODUCTS INC. (US) 2003-05-01 WO disclosed
WO-2002102787-A2 NOVEL SULFONIC ACID DERIVATIVES PFIZER PRODUCTS INC. (US) 2002-12-27 WO disclosed
EP-0609244-B1 METHOD OF PREPARING HALOGENATED HYDROXYPHENYLACETIC ACIDS BASF AG (DE) 1998-12-23 EP disclosed
EP-0609244-A1 METHOD OF PREPARING HALOGENATED HYDROXYPHENYLACETIC ACIDS BASF Aktiengesellschaft (DE) 1994-08-10 EP disclosed
WO-1993008294-A1 METHOD OF PREPARING HALOGENATED HYDROXYPHENYLACETIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 1993-04-29 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 (5 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 HIF1A 1037/4885HPGD 1457/4885MAPT 4440/4885
US-20040034034-A1 Novel piperazine derivatives CCR1, CCRL2, CCR5 HIF1A 1192/4885HPGD 2160/4885MAPT 4245/4885
US-20030083335-A1 Novel sulfonic acid derivatives CCR1, MSR1, CXCR1 HIF1A 1332/4885HPGD 3341/4885MAPT 4456/4885
US-20040063759-A1 Novel piperidine derivatives CCR1, CCR3, CCR2 HIF1A 2016/4885HPGD 3748/4885MAPT 4666/4885
US-20100081692-A1 Novel 1-Benzyl-4-Piperidinamines that are Useful in the Treatment of COPD and Asthma CCR1, CCR4, CCR10 HIF1A 129/4885HPGD 713/4885MAPT 3981/4885

“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.