SCHEMBL23775627

SCHEMBL23775627

NCCN1CCN(Cc2ccc(O)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.51
LMNA P02545 1/20 0.49
ALOX15 P16050 1/20 0.48
CA2 P00918 1/20 0.47
NCF1 P14598 1/20 0.47
CHKA P35790 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MBTD1 Q05BQ5 1/20 0.47
L3MBTL3 Q96JM7 1/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 1/20 0.47
SIGMAR1 Q99720 2/20 0.46
BACE1 P56817 2/20 0.45
HRH3 Q9Y5N1 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
SLC6A2 P23975 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
SCHEMBL5428090 0.86 DRD4 (0.63) DRD4LMNACA2ALDH1A1GAA
SCHEMBL10503271 0.85 ALDH1A1 (0.56) DRD4L3MBTL1MBTD1L3MBTL3ALDH1A1
SCHEMBL23751004 0.83 SIGMAR1 (0.63) DRD4LMNAALOX15ALDH1A1MAPT
SCHEMBL4419829 0.81 MAPT (0.54) MAPTSIGMAR1KDM4E
SCHEMBL23775603 0.81 LMNA (0.65) LMNAALOX15CA2NCF1CHKA
SCHEMBL249489 0.81 SIGMAR1 (0.72) DRD4LMNAPRMT6SIGMAR1KMT2A
SCHEMBL2477654 0.81 LMNA (0.67) DRD4LMNACA2NCF1CHKA
Hydrochloric Acid SCHEMBL23123378 0.79 SIGMAR1 (0.69) DRD4LMNAPRMT6SIGMAR1KMT2A
Hydrochloric Acid SCHEMBL3449676 0.79 SIGMAR1 (0.69) DRD4LMNAPRMT6SIGMAR1KMT2A
SCHEMBL9720752 0.79 DRD4 (0.77) DRD4LMNACA2GAASIGMAR1

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 DRD4 53/4885LMNA 3324/4885ALOX15 441/4885
US-11236122-B2 Triterpene amine derivatives BET1, PGGT1B, NFATC1 DRD4 53/4885LMNA 3324/4885ALOX15 441/4885

“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.