Sugi Predict

Sugi Predict / Compounds / SCHEMBL6964587

SCHEMBL6964587

SCHEMBL6964587

O=C(NC1CCN(C[C@@H]2CCCN3CCCC[C@H]23)CC1)c1cc2c(OCc3coc4ccc(Cl)cc34)cccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ RHEB Q15382 1/20 0.38
▸ MAOB P27338 4/20 0.36
▸ MAOA P21397 1/20 0.36
▸ BDKRB1 P46663 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SOS1 Q07889 2/20 0.34
▸ NUDT1 P36639 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ DRD2 P14416 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ SMYD3 Q9H7B4 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
Hydrochloric Acid SCHEMBL914415 0.99 ALDH1A1 (0.39) ALDH1A1RHEBMAOBMAOABDKRB1
SCHEMBL6962916 0.95 ALDH1A1 (0.40) ALDH1A1RHEBMAOBMAOABDKRB1
Hydrochloric Acid SCHEMBL915729 0.94 ALDH1A1 (0.39) ALDH1A1RHEBMAOBMAOABDKRB1
SCHEMBL916302 0.93 RHEB (0.36) ALDH1A1RHEBMAOBMAOABDKRB1
SCHEMBL915514 0.93 MLLT1 (0.37) ALDH1A1MAOBMAOABDKRB1HTR1A
SCHEMBL6962655 0.92 MAOB (0.37) ALDH1A1RHEBMAOBMAOAKDM4E
SCHEMBL13593469 0.92 MAOB (0.37) ALDH1A1RHEBMAOBMAOAKDM4E
Hydrochloric Acid SCHEMBL914376 0.91 MAOB (0.36) ALDH1A1RHEBMAOBMAOAKDM4E
SCHEMBL12971781 0.90 KMT2A (0.37) ALDH1A1RHEBMAOBMAOAKDM4E
SCHEMBL6964605 0.90 ALDH1A1 (0.37) ALDH1A1RHEBMAOBMAOABDKRB1

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 ALDH1A1 1647/4885RHEB 3019/4885MAOB 2935/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 ALDH1A1 1732/4885RHEB 3020/4885MAOB 3073/4885

“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.