Sugi Predict

Sugi Predict / Compounds / SCHEMBL915735

SCHEMBL915735

SCHEMBL915735

O=C(NC1CCN(C[C@@H]2CCN3CCOC[C@H]23)CC1)c1cc2c(OCc3coc4ccc(Cl)cc34)cccc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RHEB Q15382 1/20 0.37
▸ MAOB P27338 5/20 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
▸ SOS1 Q07889 2/20 0.33
▸ F10 P00742 1/20 0.33
▸ NUDT1 P36639 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ DRD2 P14416 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ MCHR1 Q99705 2/20 0.32
▸ SMYD3 Q9H7B4 1/20 0.32
▸ BDKRB1 P46663 1/20 0.32
▸ SETD2 Q9BYW2 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
SCHEMBL916302 0.96 RHEB (0.36) RHEBMAOBMAOAKDM4EALDH1A1
SCHEMBL4402077 0.91 ALDH1A1 (0.34) MAOBMAOAKDM4EALDH1A1SOS1
SCHEMBL6964587 0.89 ALDH1A1 (0.40) RHEBMAOBMAOAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL914415 0.89 ALDH1A1 (0.39) RHEBMAOBMAOAKDM4EALDH1A1
SCHEMBL4409090 0.87 ALDH1A1 (0.33) MAOBMAOAKDM4EALDH1A1SOS1
SCHEMBL914125 0.85 RHEB (0.42) RHEBMAOBMAOAKDM4EALDH1A1
SCHEMBL914187 0.85 RHEB (0.42) RHEBMAOBMAOAKDM4EALDH1A1
SCHEMBL6962916 0.84 ALDH1A1 (0.40) RHEBMAOBMAOAALDH1A1HTR1A
Hydrochloric Acid SCHEMBL915729 0.83 ALDH1A1 (0.39) RHEBMAOBMAOAALDH1A1HTR1A
SCHEMBL915514 0.82 MLLT1 (0.37) MAOBMAOAALDH1A1HTR1AHTR7

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 10 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
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 3019/4885MAOB 2935/4885MAOA 3739/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 RHEB 3020/4885MAOB 3073/4885MAOA 3868/4885

“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.