SCHEMBL914779

SCHEMBL914779

O=C(Nc1ccc(CCN2CCC(O)CC2)cc1)c1cc2c(OCc3coc4ccc(Cl)cc34)cccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PYGL P06737 4/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP51A1 Q16850 7/20 0.36
BDKRB1 P46663 1/20 0.36
TERT O14746 3/20 0.36
PYGM P11217 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
NHERF1 O14745 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SRD5A2 P31213 1/20 0.35

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
SCHEMBL915245 0.92 KDR (0.39) PYGLMEN1KMT2ABDKRB1NHERF1
SCHEMBL4394211 0.89 BCHE (0.34) BDKRB1TERTHTR2AHTR2CKDM4E
SCHEMBL914187 0.87 RHEB (0.42) BDKRB1HTR2AKDM4EALDH1A1
SCHEMBL914854 0.86 PYGL (0.52) PYGLMEN1KMT2ANHERF1SRD5A2
SCHEMBL4401898 0.81 ACHE (0.36) BDKRB1ALDH1A1
SCHEMBL914125 0.81 RHEB (0.42) KMT2ABDKRB1HTR2AKDM4EALDH1A1
SCHEMBL914968 0.81 RHEB (0.42) BDKRB1HTR2A
SCHEMBL13593467 0.80 PYGL (0.37) PYGLMEN1KMT2ACYP51A1TERT
SCHEMBL6963420 0.79 RHEB (0.38) KMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL916205 0.79 RHEB (0.38) KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 US claimed
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 US disclosed
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 US disclosed
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 US disclosed
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 US disclosed
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 US disclosed
US-7858781-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2010-12-28 US disclosed
US-7858781-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2010-12-28 US disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 US disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 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-20110015180-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 PYGL 3008/4885MEN1 3891/4885KMT2A 4109/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 PYGL 3080/4885MEN1 3849/4885KMT2A 4125/4885

“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.