SCHEMBL913867

SCHEMBL913867

Cc1cc2occ(COc3cccc4[nH]c(C(=O)NC5CCN(CCN6CCC(O)CC6)CC5)cc34)c2cc1C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
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
HTR7 P34969 4/20 0.36
DRD2 P14416 2/20 0.36
DRD3 P35462 1/20 0.36
SRD5A2 P31213 1/20 0.35
MAOB P27338 3/20 0.35
HTR1A P08908 2/20 0.35
TMEM97 Q5BJF2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAOA P21397 1/20 0.35
HTR6 P50406 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL6963492 0.92 KMT2A (0.36) KMT2AHTR7DRD2DRD3SRD5A2
Hydrochloric Acid SCHEMBL916029 0.91 KMT2A (0.35) KMT2AHTR7DRD2DRD3SRD5A2
SCHEMBL6964240 0.91 KMT2A (0.37) KMT2AHTR1AMEN1
Hydrochloric Acid SCHEMBL913916 0.90 KMT2A (0.37) KMT2AHTR1AMEN1
SCHEMBL913971 0.90 ADRA2A (0.41) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6963824 0.90 HTR7 (0.42) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6964133 0.90 HTR7 (0.42) HTR7DRD2HTR1AALDH1A1HTR6
SCHEMBL914272 0.89 MAOB (0.47) KMT2ADRD2DRD3MAOBALDH1A1
SCHEMBL915016 0.89 MAOB (0.47) KMT2ADRD2DRD3MAOBALDH1A1
SCHEMBL914187 0.89 RHEB (0.42) ADRA2AADRA2BADRA2CADRA1DADRA1A

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 KMT2A 4109/4885ADRA2A 302/4885ADRA2B 264/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 KMT2A 4125/4885ADRA2A 302/4885ADRA2B 263/4885

“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.