Sugi Predict

Sugi Predict / Compounds / SCHEMBL913655

SCHEMBL913655

SCHEMBL913655

C[C@@H](CN1CCC(NC(=O)c2cc3c(OCc4coc5cccc(Cl)c45)cccc3[nH]2)CC1)N1CCC(O)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 2/20 0.39
▸ KMT2A Q03164 2/20 0.36
▸ RHEB Q15382 1/20 0.35
▸ TLR9 Q9NR96 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.35
▸ TLR7 Q9NYK1 1/20 0.35
▸ ACHE P22303 2/20 0.35
▸ HTR7 P34969 1/20 0.34
▸ SLC2A1 P11166 1/20 0.34
▸ PARP1 P09874 1/20 0.33
▸ MAOB P27338 2/20 0.33
▸ HTR4 Q13639 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ CTSL P07711 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ RCE1 Q9Y256 1/20 0.33
▸ KCNH2 Q12809 1/20 0.32

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
SCHEMBL916293 0.93 KMT2A (0.40) MCHR1KMT2ATLR9TLR8TLR7
SCHEMBL915891 0.91 KMT2A (0.38) MCHR1KMT2ATLR9TLR8TLR7
SCHEMBL6963941 0.90 RHEB (0.39) MCHR1KMT2ARHEBHTR7MAOB
Hydrochloric Acid SCHEMBL915174 0.90 RHEB (0.38) MCHR1KMT2ARHEBHTR7MAOB
SCHEMBL4405432 0.90 MCHR1 (0.35) MCHR1TLR9TLR8TLR7ACHE
SCHEMBL6963120 0.90 RHEB (0.38) MCHR1KMT2ARHEBTLR9TLR8
SCHEMBL6963420 0.90 RHEB (0.38) MCHR1KMT2ARHEBTLR9TLR8
Hydrochloric Acid SCHEMBL915070 0.89 RHEB (0.38) MCHR1KMT2ARHEBTLR9TLR8
Hydrochloric Acid SCHEMBL916205 0.89 RHEB (0.38) MCHR1KMT2ARHEBTLR9TLR8
SCHEMBL913848 0.88 KMT2A (0.38) MCHR1KMT2ATLR9TLR8TLR7

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 MCHR1 257/4885KMT2A 4109/4885RHEB 3019/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 MCHR1 246/4885KMT2A 4125/4885RHEB 3020/4885

“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.