SCHEMBL6963941

SCHEMBL6963941

O=C(NC1CCN(CCN2CCC(O)CC2)CC1)c1cc2c(OCc3coc4cccc(Cl)c34)cccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.39
HTR7 P34969 3/20 0.38
HTR1A P08908 1/20 0.38
MCHR1 Q99705 1/20 0.37
DRD2 P14416 3/20 0.36
DRD3 P35462 3/20 0.36
HTR2A P28223 2/20 0.36
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
HTR4 Q13639 1/20 0.36
PYGL P06737 1/20 0.35
PYGM P11217 1/20 0.35
SRD5A2 P31213 1/20 0.35
KMT2A Q03164 2/20 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
Hydrochloric Acid SCHEMBL915174 0.99 RHEB (0.38) RHEBHTR7HTR1AMCHR1DRD2
SCHEMBL6959605 0.92 HTR7 (0.36) RHEBHTR7HTR1AMCHR1DRD2
SCHEMBL914972 0.91 KMT2A (0.41) HTR7DRD2DRD3MAOBHTR4
SCHEMBL6964733 0.91 HTR7 (0.38) HTR7HTR1AMCHR1DRD2DRD3
Hydrochloric Acid SCHEMBL915205 0.91 HTR7 (0.36) RHEBHTR7HTR1AMCHR1DRD2
Hydrochloric Acid SCHEMBL914526 0.91 HTR7 (0.38) HTR7HTR1AMCHR1DRD2DRD3
SCHEMBL913655 0.90 MCHR1 (0.39) RHEBHTR7MCHR1MAOBMAOA
SCHEMBL913971 0.89 ADRA2A (0.41) HTR7HTR1ADRD2DRD3HTR2A
SCHEMBL914187 0.88 RHEB (0.42) RHEBHTR7HTR1AMCHR1DRD2
SCHEMBL914968 0.88 RHEB (0.42) RHEBHTR7HTR1AMCHR1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP 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 RHEB 3019/4885HTR7 1237/4885HTR1A 1607/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 RHEB 3020/4885HTR7 1241/4885HTR1A 1607/4885

“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.