Sugi Predict

Sugi Predict / Compounds / SCHEMBL6962916

SCHEMBL6962916

SCHEMBL6962916

O=C(NC1CCN(C[C@@H]2CCCN3CCCC[C@H]23)CC1)c1cc2c(OCc3coc4cc(Cl)ccc34)cccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.40
▸ RHEB Q15382 1/20 0.38
▸ BDKRB1 P46663 2/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NUDT1 P36639 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MAOB P27338 3/20 0.33
▸ MCHR1 Q99705 2/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ SMYD3 Q9H7B4 1/20 0.33
▸ F10 P00742 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ DRD3 P35462 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
Hydrochloric Acid SCHEMBL915729 0.99 ALDH1A1 (0.39) ALDH1A1RHEBBDKRB1HTR1AHTR7
SCHEMBL6964587 0.95 ALDH1A1 (0.40) ALDH1A1RHEBBDKRB1HTR1AHTR7
Hydrochloric Acid SCHEMBL914415 0.94 ALDH1A1 (0.39) ALDH1A1RHEBBDKRB1HTR1AHTR7
SCHEMBL6959072 0.93 MCHR1 (0.37) ALDH1A1HTR7KMT2AMCHR1KCNH2
Hydrochloric Acid SCHEMBL914747 0.92 MCHR1 (0.36) ALDH1A1HTR7KMT2AMCHR1KCNH2
SCHEMBL13593469 0.92 MAOB (0.37) ALDH1A1RHEBKMT2AMAOBMAOA
SCHEMBL6962655 0.92 MAOB (0.37) ALDH1A1RHEBKMT2AMAOBMAOA
Hydrochloric Acid SCHEMBL914376 0.91 MAOB (0.36) ALDH1A1RHEBKMT2AMAOBMAOA
SCHEMBL913973 0.91 MAOB (0.43) ALDH1A1KMT2AMAOBMCHR1KCNH2
SCHEMBL13593470 0.91 MAOB (0.43) ALDH1A1KMT2AMAOBMCHR1KCNH2

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 3019/4885BDKRB1 32/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 ALDH1A1 1732/4885RHEB 3020/4885BDKRB1 32/4885

“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.