SCHEMBL23775544

SCHEMBL23775544

Cc1cc(CN2CCN(CCN)CC2)on1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HRH3 Q9Y5N1 2/20 0.43
ALOX15 P16050 1/20 0.41
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.38
ENPP2 Q13822 2/20 0.37
KCNH2 Q12809 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PARG Q86W56 1/20 0.36
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
IGF1R P08069 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
SCHEMBL26952641 0.85 DRD2 (0.45) DRD2SIGMAR1HRH3LMNAALDH1A1
SCHEMBL4314062 0.84 DRD2 (0.44) DRD2SIGMAR1HRH3LMNAENPP2
SCHEMBL31010287 0.80 HRH3 (0.54) DRD2SIGMAR1HRH3LMNAMEN1
SCHEMBL18942317 0.79 LMNA (0.53) DRD2SIGMAR1HRH3LMNAALDH1A1
SCHEMBL23775433 0.76 MAPT (0.43) ALOX15ALDH1A1KCNH2
SCHEMBL13616476 0.75 DRD2 (0.41) DRD2SIGMAR1HRH3LMNAALDH1A1
SCHEMBL785094 0.73 DRD2 (0.41) DRD2SIGMAR1LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL30878158 0.69 VHL (0.45) ALDH1A1MEN1KMT2AIGF1R
Hydrochloric Acid SCHEMBL30878155 0.69 VHL (0.45) ALDH1A1MEN1KMT2AIGF1R
Hydrochloric Acid SCHEMBL2120996 0.68

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 DRD2 285/4885SIGMAR1 1936/4885HRH3 46/4885
US-11236122-B2 Triterpene amine derivatives BET1, PGGT1B, NFATC1 DRD2 285/4885SIGMAR1 1936/4885HRH3 46/4885

“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.