SCHEMBL240195

SCHEMBL240195

Nc1cc(F)c(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.48
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
ALDH1A1 P00352 5/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 3/20 0.46
MAPK1 P28482 3/20 0.46
GFER P55789 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
HTT P42858 1/20 0.46
AKR1C3 P42330 1/20 0.44
HTR1A P08908 2/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
DRD3 P35462 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ME2 P23368 1/20 0.40
ME1 P48163 1/20 0.40
ME3 Q16798 1/20 0.40

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
SCHEMBL14137697 0.84 PHGDH (0.48) DHFRCA12CA2CA9MAPT
SCHEMBL27236235 0.81 MAPT (0.62) DHFRCA12CA2CA9ALDH1A1
SCHEMBL16249192 0.81 CA12 (0.43) DHFRCA12CA2CA9HTT
SCHEMBL237991 0.80 MAPT (0.66) DHFRALDH1A1MAPTLMNAMAPK1
SCHEMBL28650484 0.79 CA12 (0.65) DHFRCA12CA2CA9MAPT
SCHEMBL239103 0.74 ALDH1A1 (0.45) ALDH1A1MAPTLMNAMAPK1GFER
SCHEMBL28842325 0.72 CA12 (0.56) DHFRCA12CA2CA9ALDH1A1
SCHEMBL13285321 0.72 CA12 (0.56) DHFRCA12CA2CA9ALDH1A1
SCHEMBL5546416 0.71 HTR1A (0.56) DHFRCA12CA2CA9HTR1A
SCHEMBL3177238 0.71 CA12 (0.49) DHFRCA12CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 US 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
US-20170157104-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
EP-2678334-B1 ANTI-VIRAL COMPOUNDS ABBVIE BAHAMAS LTD (BS) 2017-03-22 EP disclosed
US-9586978-B2 Anti-viral compounds ABBVIE INC. (US) 2017-03-07 US disclosed
EP-2692346-B1 An antiviral 1-phenyl-2,5-dibenzimidazol-5-yl-pyrrolidine derivative ABBVIE BAHAMAS LTD (BS) 2015-12-02 EP disclosed
US-20150087618-A1 Anti-Viral Compounds ABBVIE INC. (US) 2015-03-26 US disclosed
US-8937150-B2 Anti-viral compounds ABBVIE INC. (US) 2015-01-20 US disclosed
US-8921514-B2 Anti-viral compounds ABBVIE INC. (US) 2014-12-30 US disclosed
EP-2692726-A1 Anti-viral compounds Abbvie Inc. (US) 2014-02-05 EP disclosed
EP-2692346-A1 An antiviral 1-phenyl-2,5-dibenzimidazol-5-yl-pyrrolidine derivative Abbvie Inc. (US) 2014-02-05 EP disclosed
US-20120220562-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-08-30 US 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 (10 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 DHFR 2089/4885CA12 4401/4885CA2 4674/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS DHFR 2089/4885CA12 4401/4885CA2 4674/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS DHFR 2089/4885CA12 4401/4885CA2 4674/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS DHFR 2089/4885CA12 4401/4885CA2 4674/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS DHFR 2089/4885CA12 4401/4885CA2 4674/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS DHFR 2089/4885CA12 4401/4885CA2 4674/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS DHFR 2089/4885CA12 4401/4885CA2 4674/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS DHFR 2089/4885CA12 4401/4885CA2 4674/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS DHFR 2089/4885CA12 4401/4885CA2 4674/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS DHFR 2089/4885CA12 4401/4885CA2 4674/4885

“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.