SCHEMBL23934127

SCHEMBL23934127

CCCCCC(C)(CC)Oc1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
CHRNB2 P17787 5/20 0.39
CHRNA4 P43681 5/20 0.39
LMNA P02545 2/20 0.39
FAAH O00519 1/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 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
SCHEMBL22752567 0.80 CNR1 (0.34) CNR1CNR2CYP3A4MAPT
SCHEMBL23934132 0.76 CHRNB2 (0.44) CNR1CNR2L3MBTL1TDP1CYP3A4
SCHEMBL19251223 0.76 CYP1A2 (0.30) CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL19251373 0.73 CNR2 (0.35) CNR1CNR2L3MBTL1CYP3A4CYP2D6
SCHEMBL22752214 0.73 CNR2 (0.35) CNR1CNR2L3MBTL1CYP3A4CYP2D6
SCHEMBL19251171 0.73 CNR2 (0.35) CNR1CNR2L3MBTL1CYP3A4CYP2D6
SCHEMBL19387704 0.73 CNR1 (0.33) CNR1CNR2CYP2D6CYP2C9CYP2C19
SCHEMBL19251638 0.73 S1PR4 (0.32) CNR1CNR2
SCHEMBL20730105 0.73 CHRNB2 (0.64) L3MBTL1TDP1CYP3A4CYP2D6CYP19A1
SCHEMBL23790789 0.72 TDP1 (0.54) CNR1CNR2L3MBTL1TDP1CYP3A4

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-20210323941-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE THE UNIVERSITY OF KANSAS 2021-10-21 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-20210323941-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE SLC6A3, DRD3, CHRM2 CNR1 133/4885CNR2 238/4885L3MBTL1 616/4885

“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.