SCHEMBL916123

SCHEMBL916123

C[C@H]1CN(CCN2CCC(NC(=O)c3cc4c(OCc5coc6ccc(Cl)cc56)cccc4[nH]3)CC2)CC[C@@H]1O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.39
HTR7 P34969 6/20 0.38
HTR1A P08908 2/20 0.38
CNR1 P21554 1/20 0.37
DRD2 P14416 2/20 0.36
HTR2A P28223 2/20 0.36
DRD3 P35462 2/20 0.36
MAOB P27338 4/20 0.36
MAOA P21397 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
SOS1 Q07889 3/20 0.35
MCHR1 Q99705 1/20 0.33

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
SCHEMBL913979 0.95 RHEB (0.39) RHEBHTR7HTR1ACNR1DRD2
SCHEMBL2313717 0.92 RHEB (0.35) RHEBHTR7HTR1ACNR1DRD2
SCHEMBL12433994 0.92 RHEB (0.35) RHEBHTR7HTR1ACNR1DRD2
SCHEMBL914309 0.92 DRD2 (0.38) HTR7DRD2HTR2ADRD3MAOB
SCHEMBL914187 0.91 RHEB (0.42) RHEBHTR7HTR1ACNR1DRD2
SCHEMBL6963492 0.91 KMT2A (0.36) HTR7HTR1ADRD2DRD3MAOB
Hydrochloric Acid SCHEMBL916029 0.90 KMT2A (0.35) HTR7HTR1ADRD2DRD3MAOB
SCHEMBL6964663 0.90 RHEB (0.36) RHEBHTR7HTR1ACNR1MAOB
SCHEMBL914125 0.90 RHEB (0.42) RHEBHTR7HTR1ACNR1DRD2
SCHEMBL4410352 0.90 KDM4E (0.35) HTR7HTR1ACNR1DRD2HTR2A

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 11 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
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.