Sugi Predict

Sugi Predict / Compounds / SCHEMBL6963768

SCHEMBL6963768

SCHEMBL6963768

C[C@@H](CN1CCC(NC(=O)c2cc3c(OCc4coc5ccc(Cl)cc45)cccc3[nH]2)CC1)N1CC[C@H](O)[C@H](O)C1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RHEB Q15382 1/20 0.37
▸ MCHR1 Q99705 3/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SOS1 Q07889 4/20 0.35
▸ MAOB P27338 3/20 0.35
▸ MAOA P21397 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ SLC2A1 P11166 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33

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
SCHEMBL914964 1.00 RHEB (0.37) RHEBMCHR1CNR1KMT2ASOS1
SCHEMBL914177 1.00 RHEB (0.37) RHEBMCHR1CNR1KMT2ASOS1
SCHEMBL6964663 0.95 RHEB (0.36) RHEBMCHR1CNR1KMT2ASOS1
Hydrochloric Acid SCHEMBL914988 0.94 RHEB (0.36) RHEBMCHR1CNR1KMT2ASOS1
SCHEMBL915527 0.93 MCHR1 (0.37) MCHR1KMT2ASOS1ALDH1A1HTR7
SCHEMBL914780 0.93 MCHR1 (0.37) MCHR1KMT2ASOS1ALDH1A1HTR7
SCHEMBL6960183 0.93 MCHR1 (0.37) MCHR1KMT2ASOS1ALDH1A1HTR7
SCHEMBL6963420 0.93 RHEB (0.38) RHEBMCHR1CNR1KMT2ASOS1
Hydrochloric Acid SCHEMBL916205 0.92 RHEB (0.38) RHEBMCHR1CNR1KMT2ASOS1
SCHEMBL4406704 0.90 SOS1 (0.34) MCHR1CNR1SOS1MAOBMAOA

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 RHEB 3019/4885MCHR1 257/4885CNR1 134/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 RHEB 3020/4885MCHR1 246/4885CNR1 134/4885

“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.