SCHEMBL239723

SCHEMBL239723

Nc1cc(F)c(N2CCC(c3ccc(F)cc3)CC2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
GFER P55789 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AOC3 Q16853 2/20 0.38
PARP10 Q53GL7 2/20 0.38
FAAH O00519 4/20 0.38
GRM2 Q14416 4/20 0.37
SLC18A3 Q16572 1/20 0.37
HTR1A P08908 2/20 0.36
DRD2 P14416 2/20 0.36
HTR2A P28223 2/20 0.36
DRD3 P35462 2/20 0.36
DRD1 P21728 1/20 0.36
DRD5 P21918 1/20 0.36
PARP14 Q460N5 1/20 0.36

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
SCHEMBL236849 0.88 DHFR (0.46) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL238001 0.86 USP5 (0.38) AOC3SLC18A3HTR2A
SCHEMBL239443 0.86 GRM2 (0.37) ALDH1A1GRM2
SCHEMBL240684 0.84 DHFR (0.37) GRM2SLC18A3
SCHEMBL241758 0.84 DRD2 (0.48) MAPTAOC3FAAHGRM2DRD2
SCHEMBL20125171 0.82 FAAH (0.42) ALDH1A1FAAHGRM2HTR1ADRD2
SCHEMBL241818 0.81 SLC6A4 (0.49) ALDH1A1DRD2
SCHEMBL238309 0.79 NPC1 (0.43) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL240318 0.78 SSTR2 (0.38) ALDH1A1LMNAMAPTMAPK1HTT
SCHEMBL241049 0.76 DHFR (0.37) AOC3DRD2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3438106-A1 ANTI-VIRAL COMPOUNDS AbbVie Ireland Unlimited Company (IE) 2019-02-06 EP claimed
US-20190015402-A1 Anti-Viral Compounds ABBVIE INC. (US) 2019-01-17 US claimed
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 US disclosed
EP-3843712-A1 PROCESS FOR MANUFACTURING PIBRENTASVIR ACTIVE DRUG SUBSTANCE Abbvie Inc. (US) 2021-07-07 EP disclosed
US-20210171506-A1 Process for Manufacturing Pibrentasvir Active Drug Substance ABBVIE INC. (US) 2021-06-10 US disclosed
WO-2020047182-A1 PROCESS FOR MANUFACTURING PIBRENTASVIR ACTIVE DRUG SUBSTANCE ABBVIE INC. (US) 2020-03-05 WO disclosed
EP-3438106-A1 ANTI-VIRAL COMPOUNDS AbbVie Ireland Unlimited Company (IE) 2019-02-06 EP disclosed
US-20190015402-A1 Anti-Viral Compounds ABBVIE INC. (US) 2019-01-17 US disclosed
US-10039754-B2 Anti-viral compounds ABBVIE INC. (US) 2018-08-07 US disclosed
US-10028937-B2 Anti-viral compounds ABBVIE INC. (US) 2018-07-24 US disclosed
US-20170157105-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
EP-2692346-A1 An antiviral 1-phenyl-2,5-dibenzimidazol-5-yl-pyrrolidine derivative Abbvie Inc. (US) 2014-02-05 EP disclosed
EP-2692726-A1 Anti-viral compounds Abbvie Inc. (US) 2014-02-05 EP disclosed
EP-2678334-A1 ANTI-VIRAL COMPOUNDS Abbvie Inc. (US) 2014-01-01 EP disclosed
EP-2627651-A1 ANTI-VIRAL COMPOUNDS Abbvie Inc. (US) 2013-08-21 EP disclosed
US-20120220562-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-08-30 US disclosed
WO-2012116257-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2012-08-30 WO disclosed
WO-2012051361-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-04-19 WO disclosed
US-20120004196-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-01-05 US disclosed
US-20110207699-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-08-25 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 (9 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-10028937-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885LMNA 3118/4885MAPT 2833/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885LMNA 3118/4885MAPT 2833/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885LMNA 3118/4885MAPT 2833/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885LMNA 3118/4885MAPT 2833/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885LMNA 3118/4885MAPT 2833/4885
US-20210171506-A1 Process for Manufacturing Pibrentasvir Active Drug Substance CYP3A5, CYP3A4, HAVCR2 ALDH1A1 1112/4885LMNA 3516/4885MAPT 855/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885LMNA 3118/4885MAPT 2833/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885LMNA 3118/4885MAPT 2833/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885LMNA 3118/4885MAPT 2833/4885

“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.