SCHEMBL16439232

SCHEMBL16439232

Cn1ccc2ccc(-c3ncccc3N3CCN(c4ccncc4)CC3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.43
FAAH O00519 1/20 0.38
EGFR P00533 1/20 0.37
HRH1 P35367 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
KDM4E B2RXH2 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CSNK1D P48730 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
GRM4 Q14833 1/20 0.35
KDM1A O60341 1/20 0.35
MAP4K4 O95819 1/20 0.35
TGFBR1 P36897 1/20 0.35
MAP3K20 Q9NYL2 1/20 0.35
PFKFB3 Q16875 2/20 0.35
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.34

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
SCHEMBL17827683 0.91 FAAH (0.47) PDE10AFAAHKDM4ERAB9AL3MBTL1
SCHEMBL16439255 0.86 PDE10A (0.42) PDE10AKDM1A
SCHEMBL17827646 0.83 FAAH (0.35) FAAHEGFRHRH1HRH3KDM4E
SCHEMBL19447755 0.82 HTR6 (0.38) HRH1HRH3KDM4ERAB9AL3MBTL1
SCHEMBL16439236 0.82 HTR6 (0.38) HRH1HRH3MAPK14HTR1AHTR7
SCHEMBL17827669 0.81 HRH1 (0.49) HRH1HRH3KDM4ERAB9AL3MBTL1
SCHEMBL17827711 0.81 HTR6 (0.37) HRH1HRH3MAPK14HTR1AHTR7
SCHEMBL17831330 0.80 HRH1 (0.37) HRH1HRH3MAPK14HTR1AHTR7
SCHEMBL16439300 0.80 FAAH (0.40) FAAHHRH1HRH3KDM4ERAB9A
SCHEMBL17831302 0.79 IDO1 (0.34) FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170291891-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2017-10-12 US disclosed
US-20170291891-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2017-10-12 US disclosed
US-20160168124-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2016-06-16 US disclosed
US-20160168124-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2016-06-16 US disclosed
WO-2015014836-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS JANSSEN R&D IRELAND (IE) 2015-02-05 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 (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-20170291891-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS MAVS, ZC3HAV1, PIR PDE10A 3733/4885FAAH 3494/4885EGFR 2622/4885
US-20160168124-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS MAVS, ZC3HAV1, PIR PDE10A 3733/4885FAAH 3494/4885EGFR 2622/4885

“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.