SCHEMBL6075832

SCHEMBL6075832

COC(=O)C(C)NCc1ccc(F)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.68
MEN1 O00255 1/20 0.57
GAA P10253 1/20 0.57
KMT2A Q03164 1/20 0.57
CA12 O43570 2/20 0.55
CA7 P43166 2/20 0.55
CA9 Q16790 2/20 0.55
CA14 Q9ULX7 2/20 0.55
HPGD P15428 1/20 0.51
MAOB P27338 3/20 0.49
MAOA P21397 2/20 0.49
SCN9A Q15858 2/20 0.49
HTT P42858 1/20 0.48
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPK1 P28482 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL5065975 1.00 TSHR (0.68) TSHRMEN1GAAKMT2ACA12
SCHEMBL5055898 1.00 TSHR (0.68) TSHRMEN1GAAKMT2ACA12
SCHEMBL29176960 0.87 TSHR (0.54) TSHRMEN1GAAKMT2ACA12
SCHEMBL4676199 0.85 TSHR (0.50) TSHRMEN1KMT2AMAPTL3MBTL1
SCHEMBL17604964 0.85 MAOB (0.61) TSHRHPGDMAOBMAOASCN9A
SCHEMBL17604966 0.85 MAOB (0.61) TSHRHPGDMAOBMAOASCN9A
SCHEMBL5066246 0.84 GAA (0.70) TSHRMEN1GAAKMT2ACA12
SCHEMBL27693587 0.84 GAA (0.70) TSHRMEN1GAAKMT2ACA12
SCHEMBL5060615 0.84 GAA (0.70) TSHRMEN1GAAKMT2ACA12
Hydrochloric Acid SCHEMBL5967403 0.83 MAOB (0.60) TSHRHPGDMAOBMAOASCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7098212-B2 Piperazine derivatives BLUMBERG LAURA C 2006-08-29 US 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
US-20050250790-A1 Novel sulfonic acid derivatives PFIZER INC 2005-11-10 US disclosed
EP-1583533-A1 USE OF PIPERAZINE DERIVATIVES AS CCR1 ANTAGONISTS Pfizer Products Inc. (US) 2005-10-12 EP disclosed
EP-1572704-A1 PHOSPHORUS-CONTAINING PIPERAZINE DERIVATIVES AS CCR1 ANTAGONISTS Pfizer Products Inc. (US) 2005-09-14 EP 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-1438298-A1 PIPERAZINE DERIVATIVES WITH CCR1 RECEPTOR ANTAGONIST ACTIVITY Pfizer Products Inc. (US) 2004-07-21 EP disclosed
US-20040127465-A1 Novel phosphorus-containing derivatives PFIZER INC 2004-07-01 US disclosed
WO-2004055031-A1 PHOSPHORUS-CONTAINING PIPERAZINE DERIVATIVES AS CCR1 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2004-07-01 WO disclosed
EP-1430041-A2 NOVEL SULFONIC ACID DERIVATIVES Pfizer Products Inc. (US) 2004-06-23 EP disclosed
US-20040058932-A1 Novel piperazine derivatives PFIZER INC. 2004-03-25 US disclosed
US-20040034034-A1 Novel piperazine derivatives BLUMBERG LAURA C (US) 2004-02-19 US disclosed
US-6649611-B2 Potent and selective inhibitors of chemokine binding to its receptor CCR1 found on inflammatory and immunomodulatory cells (preferably leukocytes and lymphocytes). PFIZER, INC. 2003-11-18 US 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
EP-1268455-A2 PIPERAZINE DERIVATIVES Pfizer Products Inc. (US) 2003-01-02 EP disclosed
WO-2002102787-A2 NOVEL SULFONIC ACID DERIVATIVES PFIZER PRODUCTS INC. (US) 2002-12-27 WO disclosed
WO-2001072728-A9 NOVEL PIPERAZINE DERIVATIVES PFIZER PROD INC (US) 2002-10-10 WO disclosed
US-20020107255-A1 Novel piperazine derivatives PFIZER PRODUCTS INC. 2002-08-08 US disclosed
WO-2001072728-A2 NOVEL PIPERAZINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2001-10-04 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 (6 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-20040058932-A1 Novel piperazine derivatives IL5, IL17A, CCR2 TSHR 3476/4885MEN1 4741/4885GAA 4620/4885
US-20050250790-A1 Novel sulfonic acid derivatives MSR1, MYD88, CXCR2 TSHR 919/4885MEN1 4669/4885GAA 3021/4885
US-20040127465-A1 Novel phosphorus-containing derivatives SLC34A2, SLC34A1, SLC20A1 TSHR 2274/4885MEN1 2934/4885GAA 1647/4885
US-20040034034-A1 Novel piperazine derivatives CCR1, CCRL2, CCR5 TSHR 1035/4885MEN1 4737/4885GAA 3225/4885
US-20030083335-A1 Novel sulfonic acid derivatives CCR1, MSR1, CXCR1 TSHR 2361/4885MEN1 4452/4885GAA 2240/4885
US-20020107255-A1 Novel piperazine derivatives IL5, IL17A, CCR2 TSHR 3476/4885MEN1 4741/4885GAA 4620/4885

“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.