Sugi Predict

Sugi Predict / Compounds / SCHEMBL4987941

SCHEMBL4987941

SCHEMBL4987941

S=C=NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 11/20 0.57
▸ BACE1 P56817 11/20 0.57
▸ CCR3 P51677 1/20 0.54
▸ SIGMAR1 Q99720 1/20 0.53
▸ BCHE P06276 6/20 0.52
▸ DRD2 P14416 1/20 0.51
▸ DRD4 P21917 1/20 0.51
▸ DRD3 P35462 1/20 0.51
▸ NAAA Q02083 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ GLA P06280 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ CXCR4 P61073 1/20 0.48

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
SCHEMBL4935312 0.91 BCHE (0.59) ACHEBACE1CCR3BCHENAAA
SCHEMBL27525298 0.84 NAAA (0.58) ACHECCR3SIGMAR1DRD2NAAA
SCHEMBL5655033 0.84 ACHE (0.57) ACHEBACE1CCR3SIGMAR1BCHE
SCHEMBL41919 0.78 ACHE (0.62) ACHEBACE1CCR3SIGMAR1BCHE
SCHEMBL3366239 0.78 ACHE (0.67) ACHEBACE1CCR3SIGMAR1BCHE
SCHEMBL5091801 0.78 ACHE (0.62) ACHEBACE1CCR3SIGMAR1BCHE
SCHEMBL11568450 0.77 NAAA (0.41) ACHEBACE1SIGMAR1BCHENAAA
SCHEMBL8315434 0.75 ACHE (0.71) ACHEBACE1CCR3SIGMAR1BCHE
SCHEMBL17590415 0.74 ACHE (0.57) ACHEBACE1CCR3SIGMAR1BCHE
SCHEMBL7363662 0.73 ACHE (0.69) ACHEBACE1CCR3SIGMAR1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023163555-A1 NOVEL HYDANTOIN DERIVATIVES AND USES THEREOF (주)셀로스바이오텍 2023-08-31 — — WO disclosed
US-7390811-B2 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-06-24 — — US disclosed
US-7361657-B2 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-04-22 — — US disclosed
US-7173054-B2 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2007-02-06 — — US disclosed
US-7173034-B2 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2007-02-06 — — US disclosed
US-20070021410-A1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-25 — — US disclosed
US-20060154913-A1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V (BE) (BE) 2006-07-13 — — US disclosed
US-20050239771-A1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. 2005-10-27 — — US disclosed
US-20050234047-A1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA, N.V. 2005-10-20 — — US disclosed
US-6924287-B1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACATICA, N.V. (BE) 2005-08-02 — — US disclosed
EP-1196408-B1 RESPIRATORY SYNCYTIAL VIRUS REPLICATION INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2004-09-15 — — EP disclosed
EP-1418175-A1 Respiratory syncytial virus replication inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2004-05-12 — — EP disclosed
EP-1196408-A1 RESPIRATORY SYNCYTIAL VIRUS REPLICATION INHIBITORS Janssen Pharmaceutica N.V. (BE) 2002-04-17 — — EP disclosed
WO-2001000611-A1 RESPIRATORY SYNCYTIAL VIRUS REPLICATION INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2001-01-04 — — WO disclosed
EP-0282133-B1 1-ALKYL SUBSTITUTED BENZIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-28 — — EP disclosed
US-4943580-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1990-07-24 — — US disclosed
EP-0282133-A2 1-alkyl substituted benzimidazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-09-14 — — EP disclosed
EP-0005318-B1 N-HETEROCYCLYL-4-PIPERIDINAMINES, METHODS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, INTERMEDIATES THEREFOR, AND METHOD FOR THE PREPARATION OF THE INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 1982-01-06 — — EP disclosed
US-4219559-A N-Heterocyclyl-4-piperidinamines JANSSEN PHARMACEUTICA N.V. (BE) 1980-08-26 — — US disclosed
EP-0005318-A1 N-Heterocyclyl-4-piperidinamines, methods for their preparation, pharmaceutical compositions comprising them, intermediates therefor, and method for the preparation of the intermediates JANSSEN PHARMACEUTICA N.V. (BE) 1979-11-14 — — EP 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 (4 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-20060154913-A1 Respiratory syncytial virus replication inhibitors CCNA1, CCNB3, CCNI ACHE 4712/4885BACE1 3098/4885CCR3 1256/4885
US-20050234047-A1 Respiratory syncytial virus replication inhibitors CCNA1, CCNB3, CCNI ACHE 4713/4885BACE1 3127/4885CCR3 1240/4885
US-20070021410-A1 Respiratory syncytial virus replication inhibitors CCNA1, CCNB3, CCNI ACHE 4712/4885BACE1 3098/4885CCR3 1256/4885
US-20050239771-A1 Respiratory syncytial virus replication inhibitors CCNB3, CCNA1, CDK2 ACHE 4726/4885BACE1 3127/4885CCR3 1403/4885

“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.

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