SCHEMBL240676

SCHEMBL240676

Nc1ccc(C2CCCCC2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.42
BACE1 P56817 1/20 0.42
OPRL1 P41146 4/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
GFER P55789 1/20 0.41
FEN1 P39748 3/20 0.39
TDO2 P48775 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
USP2 O75604 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CEL P19835 1/20 0.36
ALOX5AP P20292 1/20 0.36
HTR2A P28223 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35

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
Hydrochloric Acid SCHEMBL239926 0.98 KDM4E (0.43) NUDT1BACE1OPRL1ALDH1A1SMN1; SMN2
SCHEMBL26131159 0.98 OPRL1 (0.41) NUDT1BACE1OPRL1ALDH1A1SMN1; SMN2
SCHEMBL21988069 0.94 ALOX5AP (0.40) NUDT1BACE1OPRL1ALDH1A1SMN1; SMN2
SCHEMBL30084892 0.90 CHRNB2 (0.41) OPRL1ALDH1A1MAPTGFERCHRNB2
SCHEMBL13014935 0.90 CHRNB2 (0.41) OPRL1ALDH1A1MAPTGFERCHRNB2
Hydrochloric Acid SCHEMBL287323 0.88 CHRNB2 (0.40) OPRL1ALDH1A1MAPTGFERCHRNB2
SCHEMBL23113445 0.85 BACE1 (0.42) NUDT1BACE1OPRL1ALDH1A1SMN1; SMN2
SCHEMBL26309023 0.82 CHRNB2 (0.55) NUDT1BACE1ALDH1A1SMN1; SMN2NPC1
SCHEMBL26291025 0.82 CHRNB2 (0.55) NUDT1BACE1ALDH1A1SMN1; SMN2NPC1
SCHEMBL25989709 0.82 CHRNB2 (0.55) NUDT1BACE1ALDH1A1SMN1; SMN2NPC1

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 30 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
US-11691972-B2 Compounds for targeted degradation of BRD9 C4 THERAPEUTICS, INC. (US) 2023-07-04 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-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
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
CN-103153988-A Antiviral compounds ABBVIE INC 2013-06-12 CN 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 (11 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 172/4885BACE1 3776/4885OPRL1 4235/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NUDT1 172/4885BACE1 3776/4885OPRL1 4235/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NUDT1 172/4885BACE1 3776/4885OPRL1 4235/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NUDT1 172/4885BACE1 3776/4885OPRL1 4235/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NUDT1 172/4885BACE1 3776/4885OPRL1 4235/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NUDT1 172/4885BACE1 3776/4885OPRL1 4235/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NUDT1 172/4885BACE1 3776/4885OPRL1 4235/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NUDT1 172/4885BACE1 3776/4885OPRL1 4235/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NUDT1 172/4885BACE1 3776/4885OPRL1 4235/4885
US-11691972-B2 Compounds for targeted degradation of BRD9 BRD9, BRD1, BRWD1 NUDT1 4099/4885BACE1 3006/4885OPRL1 4132/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS NUDT1 172/4885BACE1 3776/4885OPRL1 4235/4885

“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.