SCHEMBL242034

SCHEMBL242034

Nc1cc(F)c(N2CCC(CCCc3ccccc3)CC2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 1/20 0.47
▸ CYP2D6 P10635 1/20 0.45
▸ OPRK1 P41145 1/20 0.43
▸ HRH3 Q9Y5N1 2/20 0.42
▸ SLC6A4 P31645 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ CCR3 P51677 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ FFAR4 Q5NUL3 2/20 0.40
▸ CCR5 P51681 2/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 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
SCHEMBL14137695 0.87 SLC18A3 (0.47) SLC18A3CYP2D6OPRK1HRH3SLC6A4
SCHEMBL16249194 0.84 CYP2D6 (0.47) SLC18A3CYP2D6OPRK1HRH3SLC6A4
SCHEMBL239028 0.84 PRMT3 (0.52) SLC6A4CCR3
SCHEMBL27098837 0.76 FFAR4 (0.41) FFAR4
SCHEMBL2766662 0.75 SLC18A3 (0.48) SLC18A3CYP2D6OPRK1HRH3CCR5
SCHEMBL236849 0.74 DHFR (0.46) SLC18A3CYP2D6
SCHEMBL25194061 0.73 FFAR4 (0.39) FFAR4
SCHEMBL25031021 0.73 FFAR4 (0.40) FFAR4
SCHEMBL2767116 0.72 FFAR4 (0.48) SLC18A3CYP2D6HRH3SLC6A4FFAR4
SCHEMBL238343 0.72 ALDH1A1 (0.38) OPRK1FFAR4

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 17 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
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 SLC18A3 4422/4885CYP2D6 3539/4885OPRK1 2296/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SLC18A3 4422/4885CYP2D6 3539/4885OPRK1 2296/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SLC18A3 4422/4885CYP2D6 3539/4885OPRK1 2296/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SLC18A3 4422/4885CYP2D6 3539/4885OPRK1 2296/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SLC18A3 4422/4885CYP2D6 3539/4885OPRK1 2296/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SLC18A3 4422/4885CYP2D6 3539/4885OPRK1 2296/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SLC18A3 4422/4885CYP2D6 3539/4885OPRK1 2296/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SLC18A3 4422/4885CYP2D6 3539/4885OPRK1 2296/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SLC18A3 4422/4885CYP2D6 3539/4885OPRK1 2296/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS SLC18A3 4422/4885CYP2D6 3539/4885OPRK1 2296/4885

“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.

Send feedback