SCHEMBL25839380

SCHEMBL25839380

CC(C)c1ccc(N(C)Cc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.51
NR1H3 Q13133 1/20 0.51
CNR2 P34972 4/20 0.49
CNR1 P21554 2/20 0.49
TSHR P16473 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2A P28223 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRK1 P41145 1/20 0.46

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
SCHEMBL10145168 0.89 NR1H2 (0.51) NR1H2NR1H3CNR2CNR1TSHR
SCHEMBL11881187 0.86 NR1H2 (0.62) NR1H2NR1H3CNR2TSHRALDH1A1
SCHEMBL10444689 0.82 TAAR1 (0.50) ALDH1A1KDM4ESMN1; SMN2AOC3
SCHEMBL9626886 0.82 NR1H2 (0.49) NR1H2NR1H3CNR2TSHRALDH1A1
SCHEMBL9626369 0.82 NR1H2 (0.49) NR1H2NR1H3CNR2TSHRALDH1A1
SCHEMBL642317 0.82 CRHBP (0.61) NR1H2NR1H3TSHRALDH1A1CRHBP
SCHEMBL20227118 0.81 NR1H2 (0.40) NR1H2NR1H3CNR2CNR1MEN1
SCHEMBL8263076 0.81 NR1H2 (0.54) NR1H2NR1H3CNR2CNR1TSHR
SCHEMBL6606938 0.81 NR1H2 (0.54) NR1H2NR1H3CNR2TSHRALDH1A1
SCHEMBL16980545 0.81 PYCR1 (0.61) CNR2CNR1TSHRALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119350180-A Industrial preparation method and application of high-purity alpha-aminonitrile 哈尔滨理工大学 2025-01-24 CN claimed
CN-119350180-A Industrial preparation method and application of high-purity alpha-aminonitrile 哈尔滨理工大学 2025-01-24 CN disclosed
US-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-07-11 US disclosed
US-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-07-11 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-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors JAK3, JAK1, JAK2 NR1H2 4690/4885NR1H3 4742/4885CNR2 2927/4885

“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.