SCHEMBL238412

SCHEMBL238412

Nc1cc(F)c(N2CCC(c3ccccn3)CC2)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.41
DRD4 P21917 7/20 0.39
FFAR4 Q5NUL3 4/20 0.39
DGAT1 O75907 1/20 0.39
DRD2 P14416 4/20 0.38
DRD3 P35462 3/20 0.38
MAP4K4 O95819 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
DPP4 P27487 2/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
NAMPT P43490 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
SCHEMBL16250669 0.86 DRD4 (0.45) GRM2DRD4FFAR4DGAT1DRD2
SCHEMBL16249191 0.83 KDM5A (0.42) GRM2DRD4FFAR4DGAT1DRD2
SCHEMBL236849 0.79 DHFR (0.46) DRD2
SCHEMBL24289421 0.78 ADRA2C (0.46) GRM2DRD4DGAT1DRD2DRD3
SCHEMBL239616 0.75 POLB (0.46) DRD4DRD2DRD3
SCHEMBL238309 0.73 NPC1 (0.43) GRM2
SCHEMBL241818 0.73 SLC6A4 (0.49) DRD2
SCHEMBL7120829 0.73 DRD4 (0.48) GRM2DRD4DRD2DRD3CHRM2
SCHEMBL239723 0.73 ALDH1A1 (0.39) GRM2DRD2DRD3
SCHEMBL240318 0.72 SSTR2 (0.38) FFAR4

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-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
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 GRM2 4755/4885DRD4 2788/4885FFAR4 4564/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GRM2 4755/4885DRD4 2788/4885FFAR4 4564/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GRM2 4755/4885DRD4 2788/4885FFAR4 4564/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GRM2 4755/4885DRD4 2788/4885FFAR4 4564/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GRM2 4755/4885DRD4 2788/4885FFAR4 4564/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GRM2 4755/4885DRD4 2788/4885FFAR4 4564/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GRM2 4755/4885DRD4 2788/4885FFAR4 4564/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GRM2 4755/4885DRD4 2788/4885FFAR4 4564/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS GRM2 4755/4885DRD4 2788/4885FFAR4 4564/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS GRM2 4755/4885DRD4 2788/4885FFAR4 4564/4885

“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.