SCHEMBL6964133

SCHEMBL6964133

O=C(NC1CCN(CCN2CCC(O)CC2)CC1)c1cc2c(OCc3coc4cc(F)ccc34)cccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.42
MCHR1 Q99705 14/20 0.40
KCNH2 Q12809 11/20 0.40
DRD2 P14416 2/20 0.39
HTR1A P08908 1/20 0.39
HTR6 P50406 1/20 0.39
MCHR2 Q969V1 4/20 0.39
HTR2A P28223 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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 SCHEMBL914567 0.99 HTR7 (0.41) HTR7MCHR1KCNH2DRD2HTR1A
SCHEMBL6963824 0.94 HTR7 (0.42) HTR7MCHR1KCNH2DRD2HTR1A
Hydrochloric Acid SCHEMBL913922 0.93 HTR7 (0.41) HTR7MCHR1KCNH2DRD2HTR1A
SCHEMBL914968 0.92 RHEB (0.42) HTR7MCHR1KCNH2DRD2HTR1A
SCHEMBL913971 0.92 ADRA2A (0.41) HTR7DRD2HTR1AHTR2A
SCHEMBL6964134 0.91 HTR7 (0.39) HTR7MCHR1KCNH2DRD2HTR1A
SCHEMBL6965055 0.91 HTR7 (0.39) HTR7MCHR1KCNH2DRD2HTR1A
SCHEMBL914272 0.91 MAOB (0.47) MCHR1KCNH2DRD2ALDH1A1
Hydrochloric Acid SCHEMBL914237 0.90 HTR7 (0.39) HTR7MCHR1KCNH2DRD2HTR1A
SCHEMBL6963752 0.90 MCHR1 (0.40) MCHR1KCNH2HTR1AMCHR2ALDH1A1

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 1237/4885MCHR1 257/4885KCNH2 2612/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 HTR7 1241/4885MCHR1 246/4885KCNH2 2554/4885

“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.