SCHEMBL240996

SCHEMBL240996

Nc1cc(F)c(N2CCCC(c3ccccc3)C2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43
DRD3 P35462 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
PDE3A Q14432 1/20 0.41
NR3C1 P04150 1/20 0.40
FFAR4 Q5NUL3 4/20 0.40
BTK Q06187 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PRKDC P78527 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL238309 0.92 NPC1 (0.43) NR3C1NPC1RAB9AATM
SCHEMBL236849 0.82 DHFR (0.46) DRD2NPC1
SCHEMBL31224935 0.77 FFAR4 (0.56) DRD2DRD1DRD4DRD5DRD3
SCHEMBL237470 0.74 NUDT1 (0.43)
SCHEMBL237471 0.74 NUDT1 (0.43)
SCHEMBL2725262 0.74 FFAR4 (0.56) DRD2DRD1DRD4DRD5DRD3
SCHEMBL23368435 0.74 KEAP1 (0.54) DRD2DRD1DRD4DRD5DRD3
SCHEMBL24871328 0.74 KEAP1 (0.54) DRD2DRD1DRD4DRD5DRD3
SCHEMBL3570674 0.72 MAP4K4 (0.41) HRH3NPC1
SCHEMBL239723 0.71 ALDH1A1 (0.39) DRD2DRD1DRD5DRD3

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-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 DRD2 4082/4885DRD1 3901/4885DRD4 2788/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS DRD2 4082/4885DRD1 3901/4885DRD4 2788/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS DRD2 4082/4885DRD1 3901/4885DRD4 2788/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS DRD2 4082/4885DRD1 3901/4885DRD4 2788/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS DRD2 4082/4885DRD1 3901/4885DRD4 2788/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS DRD2 4082/4885DRD1 3901/4885DRD4 2788/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS DRD2 4082/4885DRD1 3901/4885DRD4 2788/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS DRD2 4082/4885DRD1 3901/4885DRD4 2788/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS DRD2 4082/4885DRD1 3901/4885DRD4 2788/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS DRD2 4082/4885DRD1 3901/4885DRD4 2788/4885

“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.