SCHEMBL238001

SCHEMBL238001

Nc1cc(F)c(N2CCC(c3ccc(F)c(F)c3)CC2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP5 P45974 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
SCD5 Q86SK9 1/20 0.35
USP30 Q70CQ3 1/20 0.34
KDM1A O60341 1/20 0.34
ADRA1A P35348 1/20 0.34
SLC18A3 Q16572 1/20 0.33
CCR2 P41597 1/20 0.33
QDPR P09417 1/20 0.33
SOS1 Q07889 1/20 0.33
AOC3 Q16853 1/20 0.32
CCR1 P32246 1/20 0.32
DHFR P00374 1/20 0.32

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
SCHEMBL239723 0.86 ALDH1A1 (0.39) HTR2ASLC18A3AOC3
SCHEMBL236849 0.83 DHFR (0.46) SLC18A3DHFR
SCHEMBL241818 0.83 SLC6A4 (0.49) HTR2CHTR2BDHFR
SCHEMBL239443 0.81 GRM2 (0.37) DHFR
SCHEMBL240684 0.80 DHFR (0.37) SLC18A3DHFR
SCHEMBL241758 0.80 DRD2 (0.48) HTR2ACCR2AOC3
SCHEMBL241049 0.77 DHFR (0.37) AOC3DHFR
SCHEMBL240318 0.77 SSTR2 (0.38)
SCHEMBL238309 0.75 NPC1 (0.43) SLC18A3DHFR
SCHEMBL808710 0.74 HTR2A (0.46) USP5HDAC6HTR2AHTR2CHTR2B

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 55 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-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 US disclosed
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-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-10039754-B2 Anti-viral compounds ABBVIE INC. (US) 2018-08-07 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
WO-2012116257-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2012-08-30 WO 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
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-20120004196-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-01-05 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
US-20110207699-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-08-25 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 (6 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 USP5 2797/4885HDAC6 239/4885HTR2A 4700/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS USP5 2797/4885HDAC6 239/4885HTR2A 4700/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS USP5 2797/4885HDAC6 239/4885HTR2A 4700/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS USP5 2797/4885HDAC6 239/4885HTR2A 4700/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS USP5 2797/4885HDAC6 239/4885HTR2A 4700/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS USP5 2797/4885HDAC6 239/4885HTR2A 4700/4885

“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.