Sugi Predict

Sugi Predict / Compounds / SCHEMBL297729

SCHEMBL297729

SCHEMBL297729

Cc1cc(C)c(-c2ccc(-c3cc4ccccc4c4c3OP(=O)(O)Oc3c(-c5ccc(-c6c(C)cc(C)cc6C)cc5)cc5ccccc5c3-4)cc2)c(C)c1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 18/20 0.81
▸ MEN1 O00255 3/20 0.73
▸ KMT2A Q03164 3/20 0.73
▸ KDM4E B2RXH2 2/20 0.73
▸ RECQL P46063 1/20 0.62

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
SCHEMBL297566 0.93 GPR84 (0.77) GPR84MEN1KMT2AKDM4ERECQL
SCHEMBL296967 0.91 GPR84 (0.74) GPR84MEN1KMT2AKDM4ERECQL
SCHEMBL887278 0.90 GPR84 (1.00) GPR84MEN1KMT2AKDM4ERECQL
SCHEMBL887435 0.87 GPR84 (0.80) GPR84MEN1KMT2AKDM4ERECQL
SCHEMBL21741484 0.85 GPR84 (0.66) GPR84MEN1KMT2AKDM4ERECQL
SCHEMBL887280 0.85 GPR84 (1.00) GPR84MEN1KMT2AKDM4ERECQL
SCHEMBL296882 0.85 GPR84 (1.00) GPR84MEN1KMT2AKDM4ERECQL
SCHEMBL14423687 0.84 GPR84 (0.80) GPR84MEN1KMT2AKDM4ERECQL
SCHEMBL297523 0.83 GPR84 (0.90) GPR84MEN1KMT2AKDM4ERECQL
SCHEMBL21741476 0.83 GPR84 (0.74) GPR84MEN1KMT2AKDM4ERECQL

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8350040-B2 Process for preparing (alpha S, beta R)-6-bromo-alpha-[2-(dimethylamino)ethyl]-2- methoxy-alpha-1-naphthalenyl-beta-phenyl-3-quinolineethanol JANSSEN PHARMACEUTICA N.V. (BE) 2013-01-08 — — US disclosed
EP-1888604-B1 PROCESS FOR PREPARING (ALPHA S, BETA R)-6-BROMO-ALPHA-[2-(DIMETHYLAMINO)ETHYL]-2-METHOXY-ALPHA-1-NAPHTHALENYL-BETA-PHENYL-3-QUINOLINEETHANOL JANSSEN PHARMACEUTICA NV (BE) 2012-03-14 — — EP disclosed
US-20110319623-A1 PROCESS FOR PREPARING (ALPHA S, BETA R)-6-BROMO-ALPHA-[2-(DIMETHYLAMINO)ETHYL]-2-METHOXY-ALPHA-1-NAPHTHALENYL-BETA-PHENYL-3-QUINOLINEETHANOL CILAG AG (CH) 2011-12-29 — — US disclosed
US-8039628-B2 Isolation from mixture of stereoisomers; optical resolution of enantiomorphs JANSSEN PHARMACEUTICA N.V. (BE) 2011-10-18 — — US disclosed
US-20080200683-A1 Process for Preparing (Alpha S, Beta R)-6-Bromo-Alpha-[2-(Dimethylamino) Ethyl]-2-Methoxy-Alpha-1-Naphthalenyl-Beta-Phenyl-3-Quinolineethanol JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-21 — — 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-20080200683-A1 Process for Preparing (Alpha S, Beta R)-6-Bromo-Alpha-[2-(Dimethylamino) Ethyl]-2-Methoxy-Alpha-1-Naphthalenyl-Beta-Phenyl-3-Quinolineethanol LBR, ADRA1A, ADRA1D GPR84 1474/4885MEN1 1168/4885KMT2A 1760/4885
US-20110319623-A1 PROCESS FOR PREPARING (ALPHA S, BETA R)-6-BROMO-ALPHA-[2-(DIMETHYLAMINO)ETHYL]-2-METHOXY-ALPHA-1-NAPHTHALENYL-BETA-PHENYL-3-QUINOLINEETHANOL LBR, ADRA1A, ADRA1D GPR84 1474/4885MEN1 1168/4885KMT2A 1760/4885

“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.