SCHEMBL25604073

SCHEMBL25604073

CN(c1cccc2nc(C(F)(F)F)cn12)[C@H]1CC[C@@H](NC(=O)c2ccccc2C#N)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 6/20 0.37
▸ PDE4D Q08499 6/20 0.37
▸ PDE4A P27815 5/20 0.37
▸ PDE4C Q08493 5/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PTK2 Q05397 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ AR P10275 1/20 0.35
▸ TTK P33981 1/20 0.35
▸ MCHR1 Q99705 2/20 0.34
▸ ADRA2A P08913 1/20 0.34

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
SCHEMBL25604567 0.87 MCHR1 (0.37) PDE4BPDE4DPDE4APDE4CKDM4E
SCHEMBL25604065 0.87 MEN1 (0.42) P2RX7DRD4NPC1RAB9A
SCHEMBL25604224 0.86 DRD4 (0.36) PDE4BPDE4DPDE4APDE4CKDM4E
SCHEMBL25604083 0.86 ADRA1D (0.38) PDE4BPDE4DPDE4APDE4CKDM4E
SCHEMBL25604078 0.85 KMT2A (0.42) PDE4BKDM4EP2RX7NPC1RAB9A
SCHEMBL25604133 0.85 NPC1 (0.43) PDE4BPDE4DPDE4APDE4CDRD2
SCHEMBL25603664 0.85 TTK (0.33) PDE4BPDE4DPDE4APDE4CKDM4E
SCHEMBL25606037 0.85 NPC1 (0.34) PDE4BPDE4DPDE4APDE4CKDM4E
SCHEMBL25606159 0.85 ADRA2A (0.45) PDE4BPDE4DPDE4APDE4CKDM4E
SCHEMBL25221164 0.84 PDE4A (0.37) PDE4BPDE4DPDE4APDE4CKDM4E

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-20230303567-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS INC (US) 2023-09-28 — — US disclosed
US-11667636-B2 Modulators of Mas-related G-protein receptor X2 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-06-06 — — 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 (2 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-11667636-B2 Modulators of Mas-related G-protein receptor X2 and related products and methods MRGPRX2, MRGPRX1, MRGPRX4 PDE4B 586/4885PDE4D 444/4885PDE4A 930/4885
US-20230303567-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS MRGPRX2, MRGPRX1, MRGPRX4 PDE4B 586/4885PDE4D 444/4885PDE4A 930/4885

“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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