SCHEMBL6964733

SCHEMBL6964733

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.38
DRD2 P14416 3/20 0.36
HTR2A P28223 2/20 0.36
DRD3 P35462 2/20 0.36
WNT1 P04628 1/20 0.36
DYRK1A Q13627 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
HTR1A P08908 2/20 0.36
HTR6 P50406 1/20 0.36
MCHR1 Q99705 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
SRD5A2 P31213 1/20 0.35
SLC2A1 P11166 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNH2 Q12809 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
Hydrochloric Acid SCHEMBL914526 0.99 HTR7 (0.38) HTR7DRD2HTR2ADRD3WNT1
SCHEMBL6965055 0.93 HTR7 (0.39) HTR7DRD2HTR2ADRD3ADRA2A
Hydrochloric Acid SCHEMBL913258 0.92 HTR7 (0.38) HTR7DRD2HTR2ADRD3ADRA2A
SCHEMBL914972 0.91 KMT2A (0.41) HTR7DRD2DRD3DYRK1AKMT2A
SCHEMBL6963941 0.91 RHEB (0.39) HTR7DRD2HTR2ADRD3ADRA2A
Hydrochloric Acid SCHEMBL915174 0.91 RHEB (0.38) HTR7DRD2HTR2ADRD3ADRA2A
SCHEMBL913971 0.89 ADRA2A (0.41) HTR7DRD2HTR2ADRD3ADRA2A
SCHEMBL6964133 0.89 HTR7 (0.42) HTR7DRD2HTR2AHTR1AHTR6
SCHEMBL6963824 0.89 HTR7 (0.42) HTR7DRD2HTR2ADRD3ADRA2A
Hydrochloric Acid SCHEMBL914567 0.88 HTR7 (0.41) HTR7DRD2HTR2AHTR1AHTR6

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 HTR7 1237/4885DRD2 928/4885HTR2A 1347/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 HTR7 1241/4885DRD2 914/4885HTR2A 1370/4885

“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.