SCHEMBL20225784

SCHEMBL20225784

CNc1ccccc1C(C)CN

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.47
HTR2A P28223 2/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
EGFR P00533 1/20 0.35
PABPC1 P11940 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL4089395 0.82 TSHR (0.55) L3MBTL1MAPTTDP1KDM4EUSP2
SCHEMBL22624549 0.82 TSHR (0.55) L3MBTL1MAPTTDP1KDM4EUSP2
SCHEMBL23341753 0.82 TSHR (0.55) L3MBTL1MAPTTDP1KDM4EUSP2
SCHEMBL21019024 0.80 L3MBTL1 (0.38) TAAR1L3MBTL1MAPTTDP1KDM4E
SCHEMBL21092206 0.77 L3MBTL1 (0.39) TAAR1L3MBTL1MAPTTDP1KDM4E
SCHEMBL16918922 0.77 CYP2D6 (0.42) L3MBTL1MAPTTDP1KDM4EUSP2
SCHEMBL2737240 0.76 L3MBTL1 (0.55) HTR2CHTR2BL3MBTL1MAPTTDP1
SCHEMBL23766332 0.76 POLB (0.36) TAAR1L3MBTL1MAPTTDP1KDM4E
SCHEMBL25442165 0.74 HTT (0.38) L3MBTL1MAPTTDP1KDM4EUSP2
SCHEMBL23075059 0.74 TAAR1 (0.54) TAAR1HTR2AHTR2CHTR2BL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180159051-A1 EMITTERS BASED ON OCTAHEDRAL METAL COMPLEXES ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2018-06-07 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 (1 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-20180159051-A1 EMITTERS BASED ON OCTAHEDRAL METAL COMPLEXES POLR1G, ITPA, ERCC5 TAAR1 2142/4885HTR2A 3967/4885HTR2C 3760/4885

“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.