SCHEMBL21025980

SCHEMBL21025980

CCN1CCCCC(C(C)(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.40
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHRM5 P08912 1/20 0.34
ADRA2C P18825 1/20 0.34
HTR2A P28223 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
HTR6 P50406 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
SCHEMBL12437276 0.94 HSD11B1 (0.41) HSD11B1HTTL3MBTL1HTR2ACYP2D6
SCHEMBL14092992 0.85 HSD11B1 (0.43) HSD11B1CYP2D6CYP1A2
SCHEMBL12560562 0.85 HSD11B1 (0.43) HSD11B1CYP2D6CYP1A2
SCHEMBL3477269 0.78 HSD11B1 (0.36) HSD11B1L3MBTL1HTR2ACYP2D6CYP1A2
SCHEMBL6784201 0.78 DRD2 (0.47) DRD2DRD3
SCHEMBL23108745 0.78 HSD11B1 (0.36) HSD11B1L3MBTL1HTR2ACYP2D6CYP1A2
SCHEMBL23132919 0.78 HSD11B1 (0.36) HSD11B1L3MBTL1HTR2ACYP2D6CYP1A2
SCHEMBL23995928 0.78 HSD11B1 (0.49) HSD11B1HTTL3MBTL1CYP2D6CYP1A2
SCHEMBL22142323 0.78 HSD11B1 (0.49) HSD11B1HTTL3MBTL1CYP2D6CYP1A2
SCHEMBL18199673 0.78 HSD11B1 (0.49) HSD11B1HTTL3MBTL1CYP2D6CYP1A2

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-10683297-B2 Substituted heteroaryl compounds and methods of use CALITOR SCIENCES, LLC (US) 2020-06-16 US disclosed
US-20190152977-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE Northern Industrial Area, (CN) 2019-05-23 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-20190152977-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE PRKACA, PRKDC, PRKACB HSD11B1 1278/4885HTT 660/4885L3MBTL1 2514/4885
US-10683297-B2 Substituted heteroaryl compounds and methods of use PRKACA, PRKDC, PRKACB HSD11B1 1278/4885HTT 660/4885L3MBTL1 2514/4885

“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.