SCHEMBL238309

SCHEMBL238309

Nc1cc(F)c(N2CCC(c3ccccc3)C2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
SMPD3 Q9NY59 1/20 0.43
CYP3A4 P08684 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DHFR P00374 2/20 0.41
ATM Q13315 1/20 0.41
SLC18A3 Q16572 1/20 0.40
MAPT P10636 3/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
GFER P55789 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.38
HPGD P15428 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
SCHEMBL240996 0.92 DRD2 (0.43) NPC1RAB9AATMNR3C1
SCHEMBL236849 0.91 DHFR (0.46) NPC1CYP1A2CYP2C9DHFRSLC18A3
SCHEMBL237470 0.79 NUDT1 (0.43) CYP1A2MEN1KMT2A
SCHEMBL237471 0.79 NUDT1 (0.43) CYP1A2MEN1KMT2A
SCHEMBL239723 0.79 ALDH1A1 (0.39) SLC18A3MAPTALDH1A1LMNAMAPK1
SCHEMBL240711 0.77 ALDH1A1 (0.64) DHFRSLC18A3MAPTALDH1A1LMNA
SCHEMBL241818 0.76 SLC6A4 (0.49) CYP3A4DHFRALDH1A1
SCHEMBL16250668 0.76 DRD2 (0.44) NPC1DHFRSLC18A3MAPT
SCHEMBL6613474 0.75 SMPD3 (0.47) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL238001 0.75 USP5 (0.38) DHFRSLC18A3

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 NPC1 81/4885RAB9A 1535/4885SMN1; SMN2 4141/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NPC1 81/4885RAB9A 1535/4885SMN1; SMN2 4141/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NPC1 81/4885RAB9A 1535/4885SMN1; SMN2 4141/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NPC1 81/4885RAB9A 1535/4885SMN1; SMN2 4141/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NPC1 81/4885RAB9A 1535/4885SMN1; SMN2 4141/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NPC1 81/4885RAB9A 1535/4885SMN1; SMN2 4141/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NPC1 81/4885RAB9A 1535/4885SMN1; SMN2 4141/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NPC1 81/4885RAB9A 1535/4885SMN1; SMN2 4141/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NPC1 81/4885RAB9A 1535/4885SMN1; SMN2 4141/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS NPC1 81/4885RAB9A 1535/4885SMN1; SMN2 4141/4885

“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.