SCHEMBL13889677

SCHEMBL13889677

CN(C)CCN(C)Cc1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.61
PYCR1 P32322 2/20 0.56
MEN1 O00255 1/20 0.47
TNNI3 P19429 1/20 0.47
TNNT2 P45379 1/20 0.47
TNNC1 P63316 1/20 0.47
KMT2A Q03164 1/20 0.47
AOC3 Q16853 1/20 0.47
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.46
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.46
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
LTA4H P09960 1/20 0.43
ACKR3 P25106 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CARM1 Q86X55 1/20 0.42

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
SCHEMBL30093198 0.84 PYCR1 (0.67) TAAR1PYCR1MEN1KMT2AAOC3
SCHEMBL3191532 0.84 PYCR1 (0.67) TAAR1PYCR1MEN1KMT2AAOC3
SCHEMBL10039142 0.83 TAAR1 (0.61) TAAR1PYCR1AOC3ALDH1A1BCHE
SCHEMBL15308539 0.83 PYCR1 (0.56) TAAR1PYCR1MEN1KMT2AAOC3
SCHEMBL23615993 0.82 CARM1 (0.66) TAAR1PYCR1AOC3ALDH1A1KDM4E
SCHEMBL19615965 0.82 PYCR1 (0.55) TAAR1PYCR1AOC3ALDH1A1TSHR
SCHEMBL9826270 0.82 PYCR1 (0.55) TAAR1PYCR1MEN1KMT2AAOC3
SCHEMBL10065870 0.81 PYCR1 (0.55) PYCR1MEN1TNNI3TNNT2TNNC1
SCHEMBL10083411 0.81 ALDH1A1 (0.52) TAAR1PYCR1MEN1TNNI3TNNT2
SCHEMBL21664511 0.80 PYCR1 (0.53) TAAR1PYCR1AOC3ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111801-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US disclosed
US-20090111801-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US disclosed
WO-2007122173-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-01 WO 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-20090111801-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ADRA2C, ADRB2, CHRNA5 TAAR1 382/4885PYCR1 1051/4885MEN1 4390/4885

“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.