SCHEMBL1152741

SCHEMBL1152741

O=c1nc(NCCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)[nH]c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 8/20 0.63
HRH1 P35367 2/20 0.61
HRH4 Q9H3N8 2/20 0.61
KCNH2 Q12809 9/20 0.60
NR4A2 P43354 2/20 0.60
EED O75530 2/20 0.58
LMNA P02545 2/20 0.58
GAA P10253 2/20 0.58
MEN1 O00255 1/20 0.58
MLNR O43193 1/20 0.58
CACNA1F O60840 1/20 0.58
USP2 O75604 1/20 0.58
ABCB11 O95342 1/20 0.58
EGFR P00533 1/20 0.58
HLA-A P04439 1/20 0.58
ERBB2 P04626 1/20 0.58
TP53 P04637 1/20 0.58
CYP1A2 P05177 1/20 0.58
LCK P06239 1/20 0.58
FYN P06241 1/20 0.58

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
SCHEMBL11478841 0.91 SSTR5 (0.68) SSTR5HRH1HRH4KCNH2NR4A2
Water SCHEMBL10552580 0.86 SSTR5 (0.61) SSTR5HRH1HRH4KCNH2NR4A2
SCHEMBL1153444 0.85 SSTR5 (0.62) SSTR5HRH1HRH4KCNH2NR4A2
SCHEMBL11478983 0.85 SSTR5 (0.79) SSTR5HRH1HRH4KCNH2NR4A2
SCHEMBL9698301 0.85 SSTR5 (0.66) SSTR5HRH1HRH4KCNH2NR4A2
SCHEMBL1152912 0.83 SSTR5 (0.64) SSTR5HRH1HRH4KCNH2NR4A2
SCHEMBL10751380 0.83 SSTR5 (0.82) SSTR5HRH1HRH4KCNH2NR4A2
Water SCHEMBL9698311 0.83 SSTR5 (0.57) SSTR5HRH1HRH4KCNH2NR4A2
SCHEMBL10506180 0.82 SSTR5 (0.67) SSTR5HRH1HRH4KCNH2NR4A2
SCHEMBL9740363 0.82 SSTR5 (0.66) SSTR5HRH1HRH4KCNH2NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND 2013-10-31 US disclosed
US-8475804-B2 Compositions and methods for treatment of filovirus-mediated diseases U.S. ARMY MEDICAL RESEARCH AND MATERIAL COMMAND (US) 2013-07-02 US disclosed
US-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES ZALICUS INC. 2011-02-03 US disclosed
US-RE33833-E Intermediates for antihistamines, antiserotonine agents JANSSEN PHARMACEUTICA N.V. (BE) 1992-02-25 US disclosed
US-4820822-A ANTIHISTAMINE, ANTISEROTONINE AGENTS JANSSEN PHARMACEUTICA (BE) 1989-04-11 US disclosed
EP-0099139-B1 NOVEL N-(BICYCLIC HETEROCYCLYL)-4-PIPERIDINAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1987-02-11 EP disclosed
US-4556660-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1985-12-03 US disclosed
EP-0099139-A2 Novel N-(bicyclic heterocyclyl)-4-piperidinamines JANSSEN PHARMACEUTICA N.V. (BE) 1984-01-25 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 (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-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS SSTR5 4167/4885HRH1 2998/4885HRH4 2975/4885
US-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS SSTR5 4167/4885HRH1 2998/4885HRH4 2975/4885

“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.