SCHEMBL23775422

SCHEMBL23775422

NCCN1CCN(Cc2ccccc2)CC1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.60
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
APP P05067 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
PRMT5 O14744 1/20 0.51
WDR77 Q9BQA1 1/20 0.51
SIGMAR1 Q99720 3/20 0.50
GAA P10253 1/20 0.50
MC4R P32245 1/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
DRD3 P35462 1/20 0.47
KCNH2 Q12809 1/20 0.47
ALDH1A1 P00352 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45

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
SCHEMBL17740827 0.86 MCHR1 (0.78) MCHR1NPC1RAB9AMEN1KMT2A
SCHEMBL10841960 0.85 APP (0.62) MCHR1NPC1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL10843610 0.84 APP (0.61) MCHR1NPC1RAB9AMEN1KMT2A
SCHEMBL1307553 0.84 PRMT5 (0.55) MCHR1MEN1KMT2APRMT5WDR77
SCHEMBL13083472 0.81 MCHR1 (0.56) MCHR1NPC1RAB9AMEN1KMT2A
SCHEMBL930649 0.81 MCHR1 (0.56) MCHR1NPC1RAB9AMEN1KMT2A
SCHEMBL30172414 0.81 MCHR1 (0.56) MCHR1NPC1RAB9AMEN1KMT2A
SCHEMBL28497387 0.80 MCHR1 (0.57) MCHR1NPC1RAB9AMEN1KMT2A
SCHEMBL23291471 0.79 KMT2A (0.63) MCHR1NPC1RAB9AMEN1KMT2A
SCHEMBL2624402 0.78 PRMT5 (0.59) MCHR1NPC1RAB9AMEN1KMT2A

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-11236122-B2 Triterpene amine derivatives DFH THERAPEUTICS (US) 2022-02-01 US disclosed
US-20210253627-A1 TRITERPENE AMINE DERIVATIVES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-08-19 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-20210253627-A1 TRITERPENE AMINE DERIVATIVES BET1, PGGT1B, NFATC1 MCHR1 3031/4885NPC1 948/4885RAB9A 4339/4885
US-11236122-B2 Triterpene amine derivatives BET1, PGGT1B, NFATC1 MCHR1 3031/4885NPC1 948/4885RAB9A 4339/4885

“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.