SCHEMBL6353089

SCHEMBL6353089

CCOC(=O)C1=C(N[C@H](C)c2ccccc2)COCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.47
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
CASP3 P42574 1/20 0.39
LMNA P02545 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
PPP1CA P62136 1/20 0.39
TP53 P04637 1/20 0.39
NPY2R P49146 1/20 0.38
MMP8 P22894 1/20 0.38
CXCR2 P25025 2/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB2 P47870 2/20 0.37
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37

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
SCHEMBL6353091 1.00 ALOX5 (0.47) ALOX5KDM4EALDH1A1POLBCASP3
SCHEMBL15420512 1.00 ALOX5 (0.47) ALOX5KDM4EALDH1A1POLBCASP3
SCHEMBL28511317 0.91 ALOX5 (0.47) ALOX5KDM4EALDH1A1POLBCASP3
SCHEMBL18398628 0.91 ALOX5 (0.47) ALOX5KDM4EALDH1A1POLBCASP3
SCHEMBL15420776 0.91 ALOX5 (0.47) ALOX5KDM4EALDH1A1POLBCASP3
SCHEMBL28748164 0.84 KDM4C (0.40) KDM4EALDH1A1POLBLMNACXCR2
SCHEMBL4431629 0.83 ALOX5 (0.50) ALOX5KDM4EALDH1A1POLBLMNA
SCHEMBL30782219 0.83 ALOX5 (0.50) ALOX5KDM4EALDH1A1POLBLMNA
SCHEMBL4431627 0.83 ALOX5 (0.50) ALOX5KDM4EALDH1A1POLBLMNA
SCHEMBL10137636 0.83 ALOX5 (0.50) ALOX5KDM4EALDH1A1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108026088-B Oxadiazole derivatives as HDAC inhibitors 武田药品工业株式会社 2021-02-12 CN disclosed
EP-3325475-A1 OXADIAZOLE DERIVATIVES USEFUL AS HDAC INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2018-05-30 EP disclosed
WO-2017014321-A1 OXADIAZOLE DERIVATIVES USEFUL AS HDAC INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-26 WO disclosed
US-6949546-B2 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-09-27 US disclosed
US-20040058961-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity KO SOO S (US) 2004-03-25 US disclosed
US-6627629-B2 Useful for the treatment or prevention of asthma and other allergic diseases. BRISTOL-MYERS SQUIBB PHARMA 2003-09-30 US disclosed
CN-1440402-A N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-09-03 CN disclosed
US-20030032654-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-02-13 US 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-20040058961-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity CCR3, CCR1, ACKR3 ALOX5 1943/4885KDM4E 4475/4885ALDH1A1 1357/4885
US-20030032654-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity CCR3, CCR1, ACKR3 ALOX5 1943/4885KDM4E 4475/4885ALDH1A1 1357/4885

“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.