SCHEMBL916302

SCHEMBL916302

O=C(NC1CCN(C[C@@H]2CCCN3CCOC[C@H]23)CC1)c1cc2c(OCc3coc4ccc(Cl)cc34)cccc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.36
MAOB P27338 4/20 0.34
MAOA P21397 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
KMT2A Q03164 1/20 0.33
SOS1 Q07889 2/20 0.33
BDKRB1 P46663 1/20 0.33
SETD2 Q9BYW2 1/20 0.32
NUDT1 P36639 1/20 0.32
CNR1 P21554 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
DRD3 P35462 1/20 0.32
MCHR1 Q99705 1/20 0.31
UTS2R Q9UKP6 1/20 0.31
SMYD3 Q9H7B4 1/20 0.31
F10 P00742 1/20 0.31

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
SCHEMBL915735 0.96 RHEB (0.37) RHEBMAOBMAOAALDH1A1KDM4E
SCHEMBL6964587 0.93 ALDH1A1 (0.40) RHEBMAOBMAOAALDH1A1KDM4E
Hydrochloric Acid SCHEMBL914415 0.92 ALDH1A1 (0.39) RHEBMAOBMAOAALDH1A1KDM4E
SCHEMBL4409090 0.91 ALDH1A1 (0.33) MAOBMAOAALDH1A1KDM4ESOS1
SCHEMBL6962916 0.88 ALDH1A1 (0.40) RHEBMAOBMAOAALDH1A1HTR1A
Hydrochloric Acid SCHEMBL915729 0.87 ALDH1A1 (0.39) RHEBMAOBMAOAALDH1A1HTR1A
SCHEMBL4402077 0.87 ALDH1A1 (0.34) MAOBMAOAALDH1A1KDM4ESOS1
SCHEMBL915514 0.86 MLLT1 (0.37) MAOBMAOAALDH1A1HTR1AHTR7
SCHEMBL6962655 0.85 MAOB (0.37) RHEBMAOBMAOAALDH1A1KDM4E
SCHEMBL13593469 0.85 MAOB (0.37) RHEBMAOBMAOAALDH1A1KDM4E

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.