SCHEMBL237470

SCHEMBL237470

Nc1cc(F)c(N2CCO[C@@H](c3ccccc3)C2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.43
ELOVL1 Q9BW60 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
GSK3B P49841 1/20 0.42
CNR2 P34972 5/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
FFAR2 O15552 2/20 0.40
SYK P43405 1/20 0.38

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
SCHEMBL237471 1.00 NUDT1 (0.43) NUDT1ELOVL1CYP1A2CYP2D6GSK3B
SCHEMBL238309 0.79 NPC1 (0.43) CYP1A2MEN1KMT2A
SCHEMBL236849 0.76 DHFR (0.46) CYP1A2CYP2D6
SCHEMBL27469238 0.75 NUDT1 (0.51) NUDT1ELOVL1CYP1A2CYP2D6GSK3B
SCHEMBL27469239 0.75 NUDT1 (0.51) NUDT1ELOVL1CYP1A2CYP2D6GSK3B
SCHEMBL23379678 0.74 NUDT1 (0.52) NUDT1ELOVL1CYP1A2CYP2D6GSK3B
SCHEMBL240996 0.74 DRD2 (0.43)
SCHEMBL21198991 0.70 CNR2 (0.56) CNR2MEN1KMT2A
SCHEMBL12627956 0.70 CNR2 (0.48) NUDT1ELOVL1CYP1A2CYP2D6GSK3B
SCHEMBL1354385 0.69 MAOA (0.50) CYP1A2CYP2D6PIK3CAPIK3CB

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-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-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 NUDT1 172/4885ELOVL1 775/4885CYP1A2 2958/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NUDT1 172/4885ELOVL1 775/4885CYP1A2 2958/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NUDT1 172/4885ELOVL1 775/4885CYP1A2 2958/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NUDT1 172/4885ELOVL1 775/4885CYP1A2 2958/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NUDT1 172/4885ELOVL1 775/4885CYP1A2 2958/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NUDT1 172/4885ELOVL1 775/4885CYP1A2 2958/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NUDT1 172/4885ELOVL1 775/4885CYP1A2 2958/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NUDT1 172/4885ELOVL1 775/4885CYP1A2 2958/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NUDT1 172/4885ELOVL1 775/4885CYP1A2 2958/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS NUDT1 172/4885ELOVL1 775/4885CYP1A2 2958/4885

“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.