Sugi Predict

Sugi Predict / Compounds / SCHEMBL6965055

SCHEMBL6965055

SCHEMBL6965055

O=C(NC1CCN(CCN2CCC(O)CC2)CC1)c1cc2c(OCc3coc4cc(F)cc(F)c34)cccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 4/20 0.39
▸ SLC2A1 P11166 1/20 0.38
▸ KCNH2 Q12809 4/20 0.37
▸ MCHR1 Q99705 5/20 0.36
▸ DRD2 P14416 2/20 0.36
▸ HTR1A P08908 2/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ HTR2A P28223 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ MLLT1 Q03111 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ACKR3 P25106 1/20 0.35
▸ CCR3 P51677 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ ADRA1D P25100 1/20 0.35
▸ ADRA1A P35348 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 SCHEMBL913258 0.99 HTR7 (0.38) HTR7SLC2A1KCNH2MCHR1DRD2
SCHEMBL6964733 0.93 HTR7 (0.38) HTR7SLC2A1KCNH2MCHR1DRD2
Hydrochloric Acid SCHEMBL914526 0.92 HTR7 (0.38) HTR7SLC2A1KCNH2MCHR1DRD2
SCHEMBL6963834 0.91 SLC2A1 (0.37) HTR7SLC2A1KCNH2MCHR1DRD2
SCHEMBL6965058 0.91 SLC2A1 (0.41) SLC2A1KCNH2MCHR1HTR1AALDH1A1
Hydrochloric Acid SCHEMBL914555 0.91 SLC2A1 (0.37) HTR7SLC2A1KCNH2MCHR1DRD2
SCHEMBL6964133 0.91 HTR7 (0.42) HTR7KCNH2MCHR1DRD2HTR1A
Hydrochloric Acid SCHEMBL914319 0.90 SLC2A1 (0.40) SLC2A1KCNH2MCHR1HTR1AALDH1A1
Hydrochloric Acid SCHEMBL914567 0.90 HTR7 (0.41) HTR7KCNH2MCHR1DRD2HTR1A
SCHEMBL6963824 0.89 HTR7 (0.42) HTR7KCNH2MCHR1DRD2HTR1A

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 8 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
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 1237/4885SLC2A1 820/4885KCNH2 2612/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 HTR7 1241/4885SLC2A1 822/4885KCNH2 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.