SCHEMBL10034155

SCHEMBL10034155

Cc1cccc2c1N1CN(C)N=C1CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX12 P18054 1/20 0.39
▸ GAA P10253 2/20 0.37
▸ HTR2B P41595 3/20 0.35
▸ HTR2C P28335 2/20 0.35
▸ CNR2 P34972 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ DRD4 P21917 2/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ AADAT Q8N5Z0 1/20 0.31
▸ HTR5A P47898 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ HRH2 P25021 1/20 0.31
▸ HTR7 P34969 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ MEN1 O00255 1/20 0.30

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
SCHEMBL21097485 0.77 SRD5A1 (0.40) HTR2BHTR2CALDH1A1SMN1; SMN2DRD4
SCHEMBL10001710 0.71 ALOX12 (0.36) ALOX12GAAHTR2BHTR2CCNR2
SCHEMBL10110283 0.71 ALOX12 (0.36) ALOX12GAAHTR2BHTR2CCNR2
SCHEMBL12085764 0.71 ALOX12 (0.36) ALOX12GAAHTR2BHTR2CCNR2
SCHEMBL10034154 0.67 GAA (0.31) GAA
SCHEMBL2625804 0.66 ALOX12 (0.50) ALOX12GAAHTR2BHTR2CCNR2
SCHEMBL8555101 0.66 SRD5A1 (0.46) ALOX12HTR2BHTR2CCNR2ALDH1A1
SCHEMBL14281834 0.65 ALOX12 (0.45) ALOX12GAAHTR2BHTR2CCNR2
SCHEMBL14281840 0.63 GAA (0.49) ALOX12GAAHTR2BHTR2CCNR2
SCHEMBL12905298 0.63 ALOX12 (0.47) ALOX12GAAHTR2BHTR2CCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426041-B2 Carbene metal complexes as OLED materials UNIVERSAL DISPLAY CORPORATION (US) 2013-04-23 — — US disclosed
US-20120104378-A1 CARBENE METAL COMPLEXES AS OLED MATERIALS DJUROVICH PETER (US) 2012-05-03 — — 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-20120104378-A1 CARBENE METAL COMPLEXES AS OLED MATERIALS OCIAD1, OCIAD2, OXA1L ALOX12 157/4885GAA 4304/4885HTR2B 3381/4885

“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.

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