SCHEMBL238333

SCHEMBL238333

FN(F)c1ccc(N2CCC(c3ccccc3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.43
SLC18A3 Q16572 7/20 0.42
GRIN2B Q13224 2/20 0.41
DRD2 P14416 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
DHFR P00374 1/20 0.40
MBTD1 Q05BQ5 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
C1S P09871 1/20 0.40
CYP2D6 P10635 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL7446491 0.82 MBTD1 (0.55) SLC18A3GRIN2BDRD2DHFRMBTD1
SCHEMBL31612521 0.78 MEN1 (0.61) SLC18A3DRD2CYP1A2CYP2C9SIGMAR1
SCHEMBL5546675 0.78 ME3 (0.54) SLC18A3MMP2MMP9MMP13CYP2D6
SCHEMBL8363020 0.78 LMNA (0.49) IP6K1SLC18A3GRIN2BDRD2SMN1; SMN2
SCHEMBL939776 0.78 SLC18A3 (0.52) IP6K1SLC18A3GRIN2BDRD2MMP2
SCHEMBL241159 0.78 DHFR (0.50) IP6K1SLC18A3GRIN2BDRD2MMP2
SCHEMBL12005545 0.77 MCHR1 (0.44) IP6K1SLC18A3GRIN2BDRD2MMP2
SCHEMBL6132832 0.77 SIGMAR1 (0.63) IP6K1SLC18A3TSHRSIGMAR1SMN1; SMN2
SCHEMBL5919209 0.76 SLC18A3 (0.47) IP6K1SLC18A3GRIN2BDRD2DHFR
Hydrochloric Acid SCHEMBL6132971 0.75 SIGMAR1 (0.61) IP6K1SLC18A3TSHRSIGMAR1SMN1; SMN2

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 22 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
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-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
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
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 (9 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 IP6K1 2562/4885SLC18A3 4422/4885GRIN2B 4811/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS IP6K1 2562/4885SLC18A3 4422/4885GRIN2B 4811/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS IP6K1 2562/4885SLC18A3 4422/4885GRIN2B 4811/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS IP6K1 2562/4885SLC18A3 4422/4885GRIN2B 4811/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS IP6K1 2562/4885SLC18A3 4422/4885GRIN2B 4811/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS IP6K1 2562/4885SLC18A3 4422/4885GRIN2B 4811/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS IP6K1 2562/4885SLC18A3 4422/4885GRIN2B 4811/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS IP6K1 2562/4885SLC18A3 4422/4885GRIN2B 4811/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS IP6K1 2562/4885SLC18A3 4422/4885GRIN2B 4811/4885

“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.