SCHEMBL26007622

SCHEMBL26007622

CCN1CCN(CC(=O)Nc2c(C)cccc2C)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
ALOX15 P16050 1/20 0.57
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
LMNA P02545 3/20 0.57
ADRB1 P08588 2/20 0.57
CYP3A4 P08684 2/20 0.57
ADRA2A P08913 2/20 0.57
CYP2D6 P10635 2/20 0.57
ADRA2B P18089 2/20 0.57
ADRA2C P18825 2/20 0.57
ADRA1A P35348 2/20 0.57
DRD3 P35462 2/20 0.57
HTR2B P41595 2/20 0.57
KCNH2 Q12809 2/20 0.57
MLNR O43193 1/20 0.57
NR1I2 O75469 1/20 0.57
USP2 O75604 1/20 0.57
CYP1A2 P05177 1/20 0.57
PGR P06401 1/20 0.57

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
SCHEMBL2327539 0.94 ALDH1A1 (0.64) ALDH1A1ALOX15MEN1KMT2ALMNA
SCHEMBL6261397 0.88 ALOX15 (0.74) ALDH1A1ALOX15MEN1KMT2ALMNA
SCHEMBL8556384 0.88 MEN1 (0.60) ALDH1A1ALOX15MEN1KMT2ALMNA
Pyrrocaine SCHEMBL25718 0.88 MEN1 (0.70) ALDH1A1ALOX15MEN1KMT2ALMNA
Pincainide SCHEMBL2110148 0.86 MEN1 (0.73) ALDH1A1MEN1KMT2ALMNAADRB1
SCHEMBL22407740 0.86 MEN1 (0.73) ALDH1A1MEN1KMT2ALMNAADRB1
Pyrrocaine SCHEMBL10757216 0.86 MEN1 (0.68) ALDH1A1ALOX15MEN1KMT2ALMNA
SCHEMBL2096761 0.86 MEN1 (0.73) ALDH1A1MEN1KMT2ALMNAADRB1
Pyrrocaine SCHEMBL1651381 0.85 MEN1 (0.67) ALDH1A1ALOX15MEN1KMT2ALMNA
SCHEMBL12598795 0.84 CYP3A4 (0.70) ALDH1A1ALOX15MEN1KMT2ALMNA

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-20230255958-A1 METHODS OF TREATMENT FOR GASTROINTESTINAL MOTILITY DISORDERS VANDERBILT UNIVERSITY 2023-08-17 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-20230255958-A1 METHODS OF TREATMENT FOR GASTROINTESTINAL MOTILITY DISORDERS SLC10A2, KCNN3, FABP6 ALDH1A1 2084/4885ALOX15 1278/4885MEN1 1865/4885

“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.