SCHEMBL241585

SCHEMBL241585

Nc1cc(F)c(C2CC2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.35
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
OPRL1 P41146 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
GFER P55789 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL25042362 0.89 ESR2 (0.34) ABCB1ALDH1A1
SCHEMBL25446989 0.89 ABCB1 (0.40) ABCB1ALDH1A1MAPTGFER
SCHEMBL23206106 0.85 OPRL1 (0.36) ABCB1OPRL1ALDH1A1LMNAMAPT
SCHEMBL28623087 0.85 OPRL1 (0.37) OPRL1ALDH1A1LMNAMAPTMAPK1
SCHEMBL23174552 0.85 GAA (0.39) MAPT
SCHEMBL3041016 0.85
SCHEMBL24304135 0.82 HTR1D (0.41) ALDH1A1
SCHEMBL5623061 0.79 OPRL1 (0.40) ABCB1PTGS1PTGS2OPRL1
SCHEMBL29186358 0.78 MEN1 (0.38) OPRL1ALDH1A1LMNAMAPTMAPK1
SCHEMBL17514687 0.75 KDM1A (0.35) ABCB1PTGS1PTGS2OPRL1

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 28 patents — showing the first 20. 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
CN-106986861-A Antiviral compound 艾伯维巴哈马有限公司 2017-07-28 CN disclosed
US-20170157104-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
US-20170157105-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-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
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
US-20110092415-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-04-21 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 ABCB1 1483/4885PTGS1 1687/4885PTGS2 2159/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ABCB1 1483/4885PTGS1 1687/4885PTGS2 2159/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ABCB1 1483/4885PTGS1 1687/4885PTGS2 2159/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ABCB1 1483/4885PTGS1 1687/4885PTGS2 2159/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ABCB1 1483/4885PTGS1 1687/4885PTGS2 2159/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ABCB1 1483/4885PTGS1 1687/4885PTGS2 2159/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ABCB1 1483/4885PTGS1 1687/4885PTGS2 2159/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ABCB1 1483/4885PTGS1 1687/4885PTGS2 2159/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ABCB1 1483/4885PTGS1 1687/4885PTGS2 2159/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS ABCB1 1483/4885PTGS1 1687/4885PTGS2 2159/4885

“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.