SCHEMBL4987366

SCHEMBL4987366

NCCN1CCC(Nc2nc3ccccc3n2Cc2ccccn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.58
SSTR5 P35346 4/20 0.55
KCNH2 Q12809 12/20 0.54
NR4A2 P43354 1/20 0.52
MEN1 O00255 1/20 0.50
MLNR O43193 1/20 0.50
CACNA1F O60840 1/20 0.50
EED O75530 1/20 0.50
USP2 O75604 1/20 0.50
ABCB11 O95342 1/20 0.50
EGFR P00533 1/20 0.50
LMNA P02545 1/20 0.50
HLA-A P04439 1/20 0.50
ERBB2 P04626 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50

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
SCHEMBL9630130 0.94 HRH1 (0.53) HRH1SSTR5KCNH2NR4A2MEN1
SCHEMBL14173575 0.93 HRH1 (0.55) HRH1SSTR5KCNH2NR4A2MEN1
SCHEMBL5531002 0.92 SSTR5 (0.52) HRH1SSTR5KCNH2NR4A2MEN1
SCHEMBL4991699 0.90 HRH1 (0.72) HRH1SSTR5KCNH2NR4A2MEN1
SCHEMBL14173590 0.89 KCNH2 (0.53) HRH1SSTR5KCNH2NR4A2MEN1
SCHEMBL9699544 0.89 HRH1 (0.47) HRH1SSTR5KCNH2NR4A2MEN1
SCHEMBL14173581 0.87 HRH1 (0.55) HRH1SSTR5KCNH2NR4A2MEN1
SCHEMBL14584448 0.86 HRH1 (0.54) HRH1SSTR5KCNH2NR4A2MEN1
SCHEMBL4988156 0.85 KCNH2 (0.57) HRH1SSTR5KCNH2NR4A2MEN1
SCHEMBL14173568 0.85 HRH1 (0.61) HRH1SSTR5KCNH2NR4A2MEN1

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 18 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-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-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-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-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-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 HRH1 64/4885SSTR5 3981/4885KCNH2 1071/4885
US-20050234047-A1 Respiratory syncytial virus replication inhibitors CCNA1, CCNB3, CCNI HRH1 64/4885SSTR5 3987/4885KCNH2 1080/4885
US-20070021410-A1 Respiratory syncytial virus replication inhibitors CCNA1, CCNB3, CCNI HRH1 64/4885SSTR5 3981/4885KCNH2 1071/4885
US-20050239771-A1 Respiratory syncytial virus replication inhibitors CCNB3, CCNA1, CDK2 HRH1 65/4885SSTR5 4137/4885KCNH2 1331/4885

“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.