SCHEMBL7801943

SCHEMBL7801943

CC(C)(C)OC(=O)N1CCCC=C1c1cccc2ccc(N(Cc3ccccc3)Cc3ccccc3)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
PTPN1 P18031 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
KCNQ4 P56696 1/20 0.33
KCNQ5 Q9NR82 1/20 0.33
BACE1 P56817 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MPO P05164 1/20 0.33
USP30 Q70CQ3 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NR1H2 P55055 1/20 0.32

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
SCHEMBL6307308 0.80 BTK (0.39) CRHBPCRHR2JAK2JAK1PTPN1
SCHEMBL6312455 0.80 LIPG (0.41) CRHBPCRHR2JAK2JAK1PTPN1
SCHEMBL6309792 0.74 NR1H2 (0.42) JAK2JAK1USP30MEN1KMT2A
SCHEMBL7568497 0.73 JAK2 (0.39) CRHBPCRHR2JAK2JAK1MEN1
SCHEMBL6308671 0.73 CYP11B2 (0.38) CRHBPCRHR2JAK2JAK1PTPN1
SCHEMBL6307124 0.73 CYP11B2 (0.41) CRHBPCRHR2JAK2JAK1PTPN1
SCHEMBL31544175 0.71 PRKCG (0.37)
SCHEMBL31544187 0.71 BRD4 (0.40) JAK2JAK1
SCHEMBL31544267 0.69 NOTUM (0.41)
SCHEMBL24366689 0.69 JAK2 (0.39) JAK2PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010004669-A1 Pyrazinyl-substituted naphthalene derivatives CHENARD BERTRAND L (US) 2001-06-21 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-20010004669-A1 Pyrazinyl-substituted naphthalene derivatives HTR4, HCRTR2, CNR2 CRHBP 389/4885CRHR2 28/4885JAK2 2333/4885

“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.