SCHEMBL17827713

SCHEMBL17827713

Cn1ccc2cc(C(C)(F)F)c(-c3ncccc3N3CCN(c4ccncc4)CC3)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.32
HTR2C P28335 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HRH3 Q9Y5N1 3/20 0.31
HRH1 P35367 1/20 0.31
MAPT P10636 3/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
PKM P14618 1/20 0.31
HTR2A P28223 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL17831302 0.93 IDO1 (0.34) FAAHHTR2CIDO1TDO2KIT
SCHEMBL17827646 0.85 FAAH (0.35) FAAHHTR2CMEN1KMT2AALDH1A1
SCHEMBL16439232 0.79 PDE10A (0.43) FAAHHRH3HRH1RAB9AKDM4E
SCHEMBL17827683 0.79 FAAH (0.47) FAAHRAB9AKDM4EKDM1A
SCHEMBL17827661 0.75 MAP4K1 (0.43) HRH3HRH1HTR1AHTR7
SCHEMBL16439300 0.70 FAAH (0.40) FAAHHRH3HRH1MAPTRAB9A
SCHEMBL16439226 0.70 ADRA2A (0.41) MEN1KMT2AALDH1A1HRH3HRH1
SCHEMBL17827679 0.67 CHKA (0.47) HRH3HRH1MAPTDRD2DRD3
SCHEMBL16439255 0.67 PDE10A (0.42) CYP1A2CYP2D6KDM1A
SCHEMBL17827685 0.67 RIPK3 (0.42) HTR2CHRH3HRH1MAPTCYP1A2

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 2 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-20160168124-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2016-06-16 US 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 FAAH 3494/4885HTR2C 3929/4885MEN1 4843/4885
US-20160168124-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS MAVS, ZC3HAV1, PIR FAAH 3494/4885HTR2C 3929/4885MEN1 4843/4885

“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.