Sugi Predict

Sugi Predict / Compounds / SCHEMBL915333

SCHEMBL915333

SCHEMBL915333

O=C(NC1CCN(CCN2CCCCCC2)CC1)c1cc2c(Oc3cccc(F)c3)cccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 5/20 0.49
▸ HTR1A P08908 1/20 0.49
▸ DRD2 P14416 1/20 0.49
▸ HTR6 P50406 1/20 0.49
▸ CCR3 P51677 4/20 0.46
▸ MCHR1 Q99705 2/20 0.46
▸ MLLT1 Q03111 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ PLD2 O14939 1/20 0.41
▸ PLD1 Q13393 1/20 0.41
▸ CCR8 P51685 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SSTR4 P31391 1/20 0.41

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
SCHEMBL6979475 0.94 MLLT1 (0.45) HTR7HTR1ADRD2HTR6CCR3
SCHEMBL914636 0.94 MLLT1 (0.45) HTR7HTR1ADRD2HTR6CCR3
SCHEMBL914807 0.93 HTR7 (0.49) HTR7HTR1ADRD2HTR6CCR3
SCHEMBL914689 0.93 HTR7 (0.44) HTR7HTR1ADRD2HTR6CCR3
SCHEMBL914132 0.91 KDM4E (0.47) HTR7HTR1ACCR3KDM4EHSD17B10
SCHEMBL915415 0.91 MCHR1 (0.45) HTR7HTR1ADRD2HTR6CCR3
SCHEMBL913676 0.90 CCR8 (0.45) HTR7HTR1ADRD2HTR6MCHR1
SCHEMBL914958 0.87 PDGFRB (0.45) HTR7HTR1ADRD2HTR6MCHR1
SCHEMBL914806 0.87 HTR7 (0.44) HTR7HTR1ADRD2HTR6CCR3
SCHEMBL4406827 0.86 HTR7 (0.44) HTR7HTR1ADRD2HTR6CCR3

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 HTR7 1237/4885HTR1A 1607/4885DRD2 928/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 HTR7 1241/4885HTR1A 1607/4885DRD2 914/4885

“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.