SCHEMBL730661

SCHEMBL730661

Nc1ccc(CC(c2ccccc2)c2ccc(N)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
SLC6A3 Q01959 1/20 0.53
MAOB P27338 4/20 0.52
MAOA P21397 2/20 0.52
PDE4A P27815 1/20 0.51
SOAT1 P35610 1/20 0.50
HTR2A P28223 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
CNR2 P34972 2/20 0.44
CNR1 P21554 1/20 0.44
HPGD P15428 1/20 0.43
EPHX1 P07099 1/20 0.43
TSHR P16473 2/20 0.42
GFER P55789 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42

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
SCHEMBL10842083 0.93 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3MAOBMAOA
SCHEMBL19744645 0.85 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3MAOBMAOA
SCHEMBL5294122 0.83 ALDH1A1 (0.52) SLC6A2TAAR1ALDH1A1CYP3A4
SCHEMBL17294369 0.83 ALDH1A1 (0.52) SLC6A2TAAR1ALDH1A1CYP3A4
SCHEMBL8126114 0.83 MAOA (0.59) SLC6A2SLC6A4SLC6A3MAOBMAOA
SCHEMBL29260543 0.83 MAOB (0.52) MAOBMAOASOAT1EPHX1TSHR
SCHEMBL924819 0.81 SLC6A2 (0.74) SLC6A2SLC6A4SLC6A3MAOAHTR2A
SCHEMBL318537 0.81 SLC6A2 (0.74) SLC6A2SLC6A4SLC6A3MAOAHTR2A
SCHEMBL8352649 0.81 SOAT1 (0.53) MAOBMAOASOAT1EPHX1
SCHEMBL9322166 0.81 MAOB (0.50) SLC6A2SLC6A4SLC6A3MAOBMAOA

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114381095-B High-gas-resistance high-temperature-cooking-resistant transparent resin and preparation method and application thereof 佛山市辉鸿塑胶实业有限公司 2023-04-18 CN claimed
CN-114381095-B High-gas-resistance high-temperature-cooking-resistant transparent resin and preparation method and application thereof 佛山市辉鸿塑胶实业有限公司 2023-04-18 CN disclosed
US-20140155382-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2014-06-05 US disclosed
US-20140155382-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2014-06-05 US disclosed
US-20140155382-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2014-06-05 US disclosed
EP-2651924-A1 ANTI-VIRAL COMPOUNDS Abbvie Inc. (US) 2013-10-23 EP disclosed
WO-2012083164-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-06-21 WO disclosed
WO-2012083164-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-06-21 WO disclosed
US-20120115918-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-05-10 US disclosed
US-20120115918-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-05-10 US disclosed
US-20120115918-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-05-10 US disclosed
US-8138278-B2 Polymer compositions and methods of making and using same POLYMERIGHT, INC. (US) 2012-03-20 US disclosed
US-20110152492-A1 Polymer Compositions and Methods of Making and Using Same POLYMERIGHT, INC. (US) 2011-06-23 US disclosed
WO-2011008480-A1 POLYMER COMPOSITIONS AND METHODS OF MAKING AND USING SAME POLYMERIGHT, INC. (US) 2011-01-20 WO 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 (2 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-20120115918-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SLC6A2 4436/4885SLC6A4 4489/4885SLC6A3 4268/4885
US-20140155382-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS SLC6A2 4436/4885SLC6A4 4489/4885SLC6A3 4268/4885

“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.