SCHEMBL4634082

SCHEMBL4634082

NC(=O)Nc1cc(Cl)ccc1OCC1CO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.45
FPR3 P25089 1/20 0.45
GPR65 Q8IYL9 1/20 0.45
GPR35 Q9HC97 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 4/20 0.43
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CHEK1 O14757 1/20 0.41
STAT3 P40763 1/20 0.41
GLA P06280 1/20 0.41
TSHR P16473 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 2/20 0.40
ESR1 P03372 1/20 0.40
POLB P06746 1/20 0.40
ESR2 Q92731 1/20 0.40
KCNT1 Q5JUK3 1/20 0.40

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
SCHEMBL4216723 1.00 CCR1 (0.45) CCR1FPR3GPR65GPR35KMT2A
SCHEMBL4747449 0.87 TSHR (0.54) KMT2AMEN1ALDH1A1HTTKDM4E
SCHEMBL4221398 0.87 TSHR (0.54) KMT2AMEN1ALDH1A1HTTKDM4E
SCHEMBL6074890 0.84 MEN1 (0.44) KMT2AMEN1ALDH1A1CHEK1STAT3
SCHEMBL3859470 0.82 ALDH1A1 (0.54) ALDH1A1HTTGLATSHRESR1
SCHEMBL3636618 0.82 ALDH1A1 (0.54) ALDH1A1HTTGLATSHRESR1
SCHEMBL4216032 0.78 MAPT (0.51) KMT2ACHEK1TSHRKCNT1
SCHEMBL3222025 0.77 TSHR (0.46) CCR1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL1951762 0.77 TSHR (0.46) CCR1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL2794779 0.77 TDP1 (0.60) CCR1FPR3GPR65GPR35KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928829-A1 PIPERIDINE DERIVATIVES AS ANTAGONISTS OF THE CC CHEMOKINE RECEPTOR CCR1 AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Schering Aktiengesellschaft (DE) 2008-06-11 EP disclosed
US-20060167044-A1 Piperidine derivatives and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-27 US disclosed
WO-2006066948-A1 PIPERIDINE DERIVATIVES AS ANTAGONISTS OF THE CC CHEMOKINE RECEPTOR CCR1 AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-29 WO disclosed
US-6951874-B2 Compounds ASTRAZENECA AB (SE) 2005-10-04 US disclosed
US-6943188-B2 Hydroxyalkyl compounds ASTRAZENECA AB (SE) 2005-09-13 US disclosed
US-6927222-B2 1,3,4,5-tetrahydro-pyrido(4,3-b)indole-2-yl derivative useful for treating rheumatoid arthritis, chronic obstructive pulmonary disease, asthma and multple sclerosis ASTRAZENECA AB (SE) 2005-08-09 US disclosed
EP-1263724-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2005-05-18 EP disclosed
US-20030158225-A1 Novel compounds ASTRAZENECA AB (SE) 2003-08-21 US disclosed
US-20030149047-A1 Novel compounds ASTRAZENCA AB (SE) 2003-08-07 US disclosed
US-20030144267-A1 Novel compounds ASTRAZENECA AB (SE) 2003-07-31 US disclosed
EP-1263725-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-12-11 EP disclosed
EP-1263724-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-12-11 EP disclosed
WO-2001062728-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-08-30 WO disclosed
WO-2001062729-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-08-30 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 (4 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-20030158225-A1 Novel compounds UGT2B7, RPS4Y1, RPS4X CCR1 867/4885FPR3 1658/4885GPR65 1135/4885
US-20060167044-A1 Piperidine derivatives and their use as anti-inflammatory agents CCR1, CCR2, CCR3 CCR1 1/4885FPR3 90/4885GPR65 205/4885
US-20030149047-A1 Novel compounds RPS4Y1, RPS4X, RPS6 CCR1 747/4885FPR3 1716/4885GPR65 1008/4885
US-20030144267-A1 Novel compounds RPS4X, RPS4Y1, UGT2B7 CCR1 1236/4885FPR3 1653/4885GPR65 1116/4885

“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.