SCHEMBL4989602

SCHEMBL4989602

O=C1c2ccccc2C(=O)N1CCN1CCC(Nc2nc3ccccc3n2CCCc2ccccn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 11/20 0.49
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
SSTR5 P35346 3/20 0.46
HSD17B10 Q99714 1/20 0.45
NR4A2 P43354 1/20 0.44
HRH1 P35367 2/20 0.44
HTT P42858 2/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
DRD2 P14416 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
MEN1 O00255 1/20 0.42
MLNR O43193 1/20 0.42
CACNA1F O60840 1/20 0.42
EED O75530 1/20 0.42
USP2 O75604 1/20 0.42
ABCB11 O95342 1/20 0.42
EGFR P00533 1/20 0.42

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
SCHEMBL14173590 0.86 KCNH2 (0.53) KCNH2KDM4EALDH1A1SSTR5NR4A2
SCHEMBL5531002 0.81 SSTR5 (0.52) KCNH2KDM4EALDH1A1SSTR5NR4A2
SCHEMBL4991699 0.75 HRH1 (0.72) KCNH2KDM4EALDH1A1SSTR5NR4A2
SCHEMBL4987366 0.75 HRH1 (0.58) KCNH2KDM4EALDH1A1SSTR5NR4A2
SCHEMBL14173575 0.75 HRH1 (0.55) KCNH2KDM4EALDH1A1SSTR5NR4A2
SCHEMBL11480928 0.74 SSTR5 (0.78) KCNH2SSTR5NR4A2HRH1HTT
SCHEMBL14173504 0.74 KCNH2 (0.41) KCNH2KDM4EALDH1A1SSTR5NR4A2
SCHEMBL4988156 0.73 KCNH2 (0.57) KCNH2KDM4EALDH1A1SSTR5NR4A2
SCHEMBL14173528 0.73 HRH1 (0.53) KCNH2KDM4EALDH1A1SSTR5NR4A2
SCHEMBL14173581 0.73 HRH1 (0.55) KCNH2KDM4EALDH1A1SSTR5NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 KCNH2 1071/4885KDM4E 2271/4885ALDH1A1 1134/4885
US-20050234047-A1 Respiratory syncytial virus replication inhibitors CCNA1, CCNB3, CCNI KCNH2 1080/4885KDM4E 2358/4885ALDH1A1 1101/4885
US-20070021410-A1 Respiratory syncytial virus replication inhibitors CCNA1, CCNB3, CCNI KCNH2 1071/4885KDM4E 2271/4885ALDH1A1 1134/4885
US-20050239771-A1 Respiratory syncytial virus replication inhibitors CCNB3, CCNA1, CDK2 KCNH2 1331/4885KDM4E 2840/4885ALDH1A1 1296/4885

“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.