SCHEMBL21534767

SCHEMBL21534767

CC(C)NCc1ccc(OCC2CC2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 4/20 0.44
▸ PDE4B Q07343 4/20 0.44
▸ PDE4C Q08493 4/20 0.44
▸ PDE4D Q08499 4/20 0.44
▸ SLC2A1 P11166 1/20 0.42
▸ PDE2A O00408 1/20 0.41
▸ ACACB O00763 1/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ PPARD Q03181 2/20 0.39
▸ PPARA Q07869 2/20 0.39
▸ PPARG P37231 1/20 0.39
▸ CHRNA7 P36544 1/20 0.39
▸ ADRB1 P08588 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KDM1A O60341 1/20 0.38

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
SCHEMBL23775341 0.85 CARM1 (0.42) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL18377484 0.80 PPARD (0.43) PDE4APDE4BPDE4CPDE4DPPARD
SCHEMBL22957908 0.78 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DACACB
SCHEMBL18377852 0.77 PARP10 (0.41) PPARDPPARAPPARGKDM1A
SCHEMBL22374238 0.77 PPARD (0.40) PPARDPPARAPPARGKDM1A
SCHEMBL18482216 0.77 PDE2A (0.47) SLC2A1PDE2AKCNH2
SCHEMBL1390774 0.77 PPARD (0.46) PDE4APDE4BPDE4CPDE4DPPARD
SCHEMBL22957667 0.76 RIPK1 (0.40) PDE4APDE4BPDE4CPDE4DKDM1A
SCHEMBL11951596 0.76 ACACB (0.45) PDE4APDE4BPDE4CPDE4DACACB
SCHEMBL20376266 0.73 ACACB (0.41) PDE4APDE4BPDE4CPDE4DACACB

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-10927126-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2021-02-23 — — US disclosed
US-20190330231-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2019-10-31 — — 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-20190330231-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM5, CHRM2 PDE4A 126/4885PDE4B 144/4885PDE4C 118/4885
US-10927126-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 CHRM4, CHRM5, CHRM2 PDE4A 126/4885PDE4B 144/4885PDE4C 118/4885

“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.

Send feedback