SCHEMBL9698779

SCHEMBL9698779

c1ccc(Cn2c(NC3CCN(CCNc4ncccn4)CC3)nc3cccnc32)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.45
SSTR5 P35346 3/20 0.41
KCNH2 Q12809 9/20 0.41
NR4A2 P43354 1/20 0.40
DRD4 P21917 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GPR6 P46095 1/20 0.39
TP53 P04637 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
MEN1 O00255 1/20 0.38
MLNR O43193 1/20 0.38
CACNA1F O60840 1/20 0.38
EED O75530 1/20 0.38
USP2 O75604 1/20 0.38
ABCB11 O95342 1/20 0.38
EGFR P00533 1/20 0.38
LMNA P02545 1/20 0.38
HLA-A P04439 1/20 0.38
ERBB2 P04626 1/20 0.38

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
SCHEMBL9690941 0.94 HRH1 (0.41) HRH1SSTR5KCNH2NR4A2DRD4
Fumaric Acid SCHEMBL10818165 0.93 GPR6 (0.41) HRH1SSTR5KCNH2NR4A2DRD4
SCHEMBL9306027 0.90 SSTR5 (0.38) HRH1SSTR5KCNH2NR4A2DRD4
Fumaric Acid SCHEMBL9630920 0.88 DRD4 (0.39) HRH1SSTR5KCNH2DRD4KDM4E
SCHEMBL9699544 0.87 HRH1 (0.47) HRH1SSTR5KCNH2NR4A2DRD4
SCHEMBL1152440 0.84 HPGD (0.38) HRH1SSTR5KCNH2NR4A2DRD4
SCHEMBL9699680 0.83 KCNH2 (0.44) HRH1SSTR5KCNH2NR4A2DRD4
SCHEMBL9697289 0.83 HRH1 (0.43) HRH1SSTR5KCNH2NR4A2DRD4
SCHEMBL9629371 0.82 HTR1A (0.42) HRH1SSTR5KCNH2NR4A2DRD4
SCHEMBL9630368 0.82 HRH1 (0.43) HRH1SSTR5KCNH2NR4A2DRD4

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 6 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-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
US-4760074-A Novel-N-(bicyclic heterocyclyl)-4-piperidinamines JANSSEN PHARMACEUTICA N.V. (BE) 1988-07-26 US 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 (1 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-20130289024-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS HRH1 2998/4885SSTR5 4167/4885KCNH2 2148/4885

“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.