SCHEMBL13946287

SCHEMBL13946287

CC1N(C)c2cccc3c2N1c1ccccc1C3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ HTR2A P28223 7/20 0.37
▸ ADRA2A P08913 5/20 0.37
▸ ADRA1A P35348 5/20 0.37
▸ DRD2 P14416 5/20 0.37
▸ DRD4 P21917 5/20 0.37
▸ DRD3 P35462 5/20 0.37
▸ HTR2C P28335 5/20 0.37
▸ HRH1 P35367 5/20 0.37
▸ DRD1 P21728 4/20 0.37
▸ HTR1A P08908 4/20 0.37
▸ ADRA2C P18825 3/20 0.37
▸ HTR1D P28221 3/20 0.37
▸ HTR7 P34969 3/20 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
SCHEMBL13875974 0.84 ALDH1A1 (0.39) KDM4EALDH1A1HPGDGAAALOX12
SCHEMBL18471325 0.77 HTR2A (0.39) KDM4EALDH1A1HPGDHTR2AADRA2A
SCHEMBL13875992 0.76 ALDH1A1 (0.38) KDM4EALDH1A1HPGDCHRNB4CHRNA3
SCHEMBL20276739 0.72 KMT2A (0.39) KDM4EALDH1A1HPGDHTR2AADRA2A
SCHEMBL13969348 0.71 KDM4E (0.42) KDM4EALDH1A1HPGDGAAALOX12
SCHEMBL20277045 0.70 KMT2A (0.40) KDM4EALDH1A1HPGDHTR2AHTR2C
SCHEMBL13875987 0.70 ALDH1A1 (0.38) ALDH1A1HPGDALOX12CHRNB4CHRNA3
SCHEMBL13875985 0.68 HPGD (0.36) ALDH1A1HPGDGAAHTR2AHTR2C
SCHEMBL17951855 0.68 HPGD (0.48) HPGDHTR2AADRA2ADRD2DRD4
SCHEMBL29351597 0.67 MAOA (0.52) KDM4EALDH1A1HPGDHTR2AADRA2A

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-8410280-B2 Process for preparing transition metal-carbene complexes BASF SE (DE) 2013-04-02 — — US disclosed
US-20090018330-A1 PROCESS FOR PREPARING TRANSITION METAL-CARBENE COMPLEXES BASF SE (DE) 2009-01-15 — — 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-20090018330-A1 PROCESS FOR PREPARING TRANSITION METAL-CARBENE COMPLEXES AP1M1, C1S, GPS1 KDM4E 4586/4885ALDH1A1 2893/4885HPGD 3136/4885

“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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