Sugi Predict

Sugi Predict / Compounds / SCHEMBL915514

SCHEMBL915514

SCHEMBL915514

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MLLT1 Q03111 1/20 0.37
▸ BDKRB1 P46663 1/20 0.35
▸ HTR7 P34969 4/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SOS1 Q07889 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ MCHR1 Q99705 5/20 0.34
▸ KCNH2 Q12809 4/20 0.34
▸ MCHR2 Q969V1 2/20 0.34
▸ CCR3 P51677 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HTR6 P50406 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
SCHEMBL6959072 0.95 MCHR1 (0.37) MLLT1HTR7KMT2AALDH1A1MCHR1
Hydrochloric Acid SCHEMBL914747 0.94 MCHR1 (0.36) MLLT1HTR7KMT2AALDH1A1MCHR1
SCHEMBL6964587 0.93 ALDH1A1 (0.40) BDKRB1HTR7KMT2ASOS1MAOA
SCHEMBL6962655 0.93 MAOB (0.37) KMT2AMAOAMAOBALDH1A1DRD2
SCHEMBL13593469 0.93 MAOB (0.37) KMT2AMAOAMAOBALDH1A1DRD2
Hydrochloric Acid SCHEMBL914415 0.92 ALDH1A1 (0.39) BDKRB1HTR7KMT2ASOS1MAOA
Hydrochloric Acid SCHEMBL914376 0.92 MAOB (0.36) KMT2AMAOAMAOBALDH1A1DRD2
SCHEMBL12971781 0.91 KMT2A (0.37) KMT2AMAOAMAOBALDH1A1
SCHEMBL6959397 0.90 SLC2A1 (0.35) MLLT1HTR7KMT2AALDH1A1MCHR1
Hydrochloric Acid SCHEMBL913972 0.90 KMT2A (0.36) KMT2AMAOAMAOBALDH1A1

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 MLLT1 4437/4885BDKRB1 32/4885HTR7 1237/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 MLLT1 4447/4885BDKRB1 32/4885HTR7 1241/4885

“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.