Sugi Predict

Sugi Predict / Compounds / SCHEMBL6966095

SCHEMBL6966095

SCHEMBL6966095

O=C(NC1CCN(CCN2[C@@H]3CC[C@H]2C[C@H](O)C3)CC1)c1cc2c(Br)cccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.43
▸ RHEB Q15382 1/20 0.40
▸ PLD2 O14939 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ DRD2 P14416 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ ADRA1D P25100 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ ADRA1B P35368 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38

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
SCHEMBL914210 1.00 HRH4 (0.43) HRH4RHEBPLD2KDM4EHSD17B10
SCHEMBL914665 0.90 HRH4 (0.48) HRH4RHEBKMT2AADRA2AADRA2B
SCHEMBL914907 0.86 KDM4E (0.49) HRH4RHEBKDM4EHSD17B10KMT2A
SCHEMBL916158 0.86 KDM4E (0.49) HRH4RHEBKDM4EHSD17B10KMT2A
SCHEMBL914543 0.83 KMT2A (0.40) RHEBPLD2KDM4EHSD17B10KMT2A
SCHEMBL914822 0.83 HTR1A (0.43) KDM4EHSD17B10KMT2AALDH1A1DRD2
SCHEMBL6962267 0.83 HTR1A (0.43) KDM4EHSD17B10KMT2AALDH1A1DRD2
SCHEMBL914697 0.83 HTR1A (0.43) KDM4EHSD17B10KMT2AALDH1A1DRD2
SCHEMBL6958776 0.83 KMT2A (0.40) RHEBPLD2KDM4EHSD17B10KMT2A
SCHEMBL914281 0.83 DRD4 (0.41) PLD2KDM4EKMT2AALDH1A1DRD2

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 9 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
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 — — EP 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 HRH4 478/4885RHEB 3019/4885PLD2 2220/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 HRH4 467/4885RHEB 3020/4885PLD2 2249/4885

“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.