SCHEMBL5468971

SCHEMBL5468971

COc1cc2c(cc1OC)NCCCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
CYP3A4 P08684 1/20 0.43
MAOA P21397 3/20 0.41
TSHR P16473 1/20 0.41
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
ATM Q13315 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL30340758 1.00 MAPT (0.43) MAPTCYP3A4MAOATSHRTLR9
SCHEMBL10912768 0.94 MAPT (0.45) MAPTCYP3A4MAOATSHRTLR9
Hydrochloric Acid SCHEMBL7373928 0.93 MAPT (0.44) MAPTCYP3A4MAOATSHRTLR9
SCHEMBL21468538 0.88 L3MBTL1 (0.39) MAPTCYP3A4TSHRTLR9TLR8
SCHEMBL5564105 0.86 MAOA (0.49) MAPTCYP3A4MAOATSHRHTR2A
SCHEMBL9331292 0.86 HTR2C (0.54) MAPTCYP3A4TLR9TLR8TLR7
Hydrochloric Acid SCHEMBL9331810 0.85 HTR2C (0.53) MAPTCYP3A4MAOAHTR2AHTR2C
Hydrochloric Acid SCHEMBL9331130 0.85 HTR2C (0.53) MAPTCYP3A4HTR2AHTR2CHTR2B
SCHEMBL23090418 0.81 KDM4E (0.46) MAPTHCRTR1HCRTR2KDM4EALDH1A1
SCHEMBL18122551 0.81 HTR2C (0.56) MAPTTLR9TLR8TLR7HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10995056-B2 Direct C—H amination and aza-annulation THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-05-04 US disclosed
US-10995056-B2 Direct C—H amination and aza-annulation THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-05-04 US disclosed
WO-2020108688-A1 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE FOR NUCLEAR-MEDICAL IMAGING HELMHOLTZ-ZENTRUM DRESDEN-ROSSENDORF E.V. (DE) 2020-06-04 WO disclosed
US-20190152892-A1 DIRECT C-H AMINATION AND AZA-ANNULATION THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-05-23 US disclosed
US-20190152892-A1 DIRECT C-H AMINATION AND AZA-ANNULATION THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-05-23 US disclosed
WO-2018013540-A1 DIRECT C-H AMINATION AND AZA-ANNULATION THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-01-18 WO disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
EP-1657238-A1 FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-17 EP 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 (3 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-10995056-B2 Direct C—H amination and aza-annulation AOC3, ALKBH3, AZI2 MAPT 4598/4885CYP3A4 672/4885MAOA 136/4885
US-20070010537-A1 Fused pyramidine derivative and use thereof NR5A1, GNRHR, RXFP3 MAPT 4777/4885CYP3A4 1715/4885MAOA 200/4885
US-20190152892-A1 DIRECT C-H AMINATION AND AZA-ANNULATION AOC3, ALKBH3, AZI2 MAPT 4580/4885CYP3A4 626/4885MAOA 128/4885

“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.