SCHEMBL20153656

SCHEMBL20153656

CCc1c2ccccc2c(C(C)C)n1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 3/20 0.31
TAAR1 Q96RJ0 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
MAOA P21397 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CYP2A6 P11509 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
ADRB1 P08588 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
HTR1E P28566 1/20 0.31
HTR7 P34969 1/20 0.31

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
SCHEMBL18610991 0.82 KDM4E (0.34) CYP2D6TSHRSMN1; SMN2HSD17B10TDP1
SCHEMBL24924297 0.82 TP53 (0.36) CYP2D6TSHRSMN1; SMN2HSD17B10TDP1
SCHEMBL23046376 0.78 HTR2A (0.34) HTR2AHTR2CHTR2BHTR6
SCHEMBL23229479 0.77 NPC1 (0.37) SLC6A2HTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL24924405 0.75 KDM4E (0.34) SMN1; SMN2TDP1
SCHEMBL20153677 0.75 KDM4E (0.34) TSHRSMN1; SMN2HSD17B10TDP1
SCHEMBL23710821 0.71 ALDH1A1 (0.36) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL25971764 0.70
SCHEMBL11726453 0.66 GPR3 (0.46) CYP2D6CYP2A6TSHRSMN1; SMN2HSD17B10
SCHEMBL11719930 0.63 POLB (0.44) SLC6A4TSHRHSD17B10TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11653560-B2 Tetradentate metal complexes with carbon group bridging ligands ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2023-05-16 US disclosed
US-20210126208-A1 Tetradentate Metal Complexes with Carbon Group Bridging Ligands UNIV ARIZONA STATE (US) 2021-04-29 US disclosed
US-10944064-B2 Tetradentate metal complexes with carbon group bridging ligands ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2021-03-09 US disclosed
US-10937976-B2 Tetradentate platinum and palladium complex emitters containing phenyl-pyrazole and its analogues ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2021-03-02 US disclosed
US-20210024559-A1 TETRADENTATE AND OCTAHEDRAL METAL COMPLEXES CONTAINING NAPHTHYRIDINOCARBAZOLE AND ITS ANALOGUES UNIV ARIZONA STATE (US) 2021-01-28 US disclosed
US-10790457-B2 Metal-assisted delayed fluorescent emitters containing tridentate ligands ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2020-09-29 US disclosed
US-20180138428-A1 METAL-ASSISTED DELAYED FLUORESCENT EMITTERS CONTAINING TRIDENTATE LIGANDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2018-05-17 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 (7 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-20210126208-A1 Tetradentate Metal Complexes with Carbon Group Bridging Ligands STAU1, POLR1G, CLTC CYP2D6 4806/4885SLC6A2 1812/4885TAAR1 768/4885
US-10944064-B2 Tetradentate metal complexes with carbon group bridging ligands STAU1, POLR1G, CLTC CYP2D6 4806/4885SLC6A2 1812/4885TAAR1 768/4885
US-11653560-B2 Tetradentate metal complexes with carbon group bridging ligands PDCD2L, STAU1, POLR1G CYP2D6 3847/4885SLC6A2 1632/4885TAAR1 972/4885
US-20180138428-A1 METAL-ASSISTED DELAYED FLUORESCENT EMITTERS CONTAINING TRIDENTATE LIGANDS SLC30A6, SLC30A5, BRI3BP CYP2D6 4586/4885SLC6A2 1139/4885TAAR1 77/4885
US-10790457-B2 Metal-assisted delayed fluorescent emitters containing tridentate ligands SLC30A6, SLC30A5, BRI3BP CYP2D6 4586/4885SLC6A2 1139/4885TAAR1 77/4885
US-10937976-B2 Tetradentate platinum and palladium complex emitters containing phenyl-pyrazole and its analogues PDCD1, PDCD11, TYMP CYP2D6 1691/4885SLC6A2 2425/4885TAAR1 1864/4885
US-20210024559-A1 TETRADENTATE AND OCTAHEDRAL METAL COMPLEXES CONTAINING NAPHTHYRIDINOCARBAZOLE AND ITS ANALOGUES PAICS, DNTT, PNPO CYP2D6 3071/4885SLC6A2 3683/4885TAAR1 3529/4885

“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.