SCHEMBL20053331

SCHEMBL20053331

CC(C)C(=O)N1CCN(CCN)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
POLB P06746 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MTNR1B P49286 1/20 0.43
CYP2C19 P33261 1/20 0.41
HRH2 P25021 5/20 0.41
HRH1 P35367 5/20 0.41
PIK3CD O00329 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
CHRNB3 Q05901 1/20 0.40
CHRNA6 Q15825 1/20 0.40
HRH3 Q9Y5N1 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL1098682 0.82 POLB (0.50) POLBRXFP1MTNR1BCYP2C19HRH2
SCHEMBL1098678 0.82 POLB (0.47) ALOX15POLBRXFP1MTNR1BCYP2C19
SCHEMBL13452456 0.82 HRH2 (0.48) POLBRXFP1MTNR1BCYP2C19HRH2
SCHEMBL12120505 0.81 CYP2C19 (0.62) ALOX15CYP2C19HRH2HRH1PIK3CD
SCHEMBL24208750 0.81 POLB (0.46) ALOX15POLBRXFP1MTNR1BCYP2C19
SCHEMBL10976347 0.81 POLB (0.46) POLBRXFP1MTNR1BCYP2C19HRH2
SCHEMBL1098571 0.79 HRH2 (0.46) POLBRXFP1MTNR1BCYP2C19HRH2
SCHEMBL1098569 0.79 HRH2 (0.46) POLBRXFP1MTNR1BCYP2C19HRH2
SCHEMBL15216104 0.79 HSD17B10 (0.48) ALOX15POLBRXFP1CYP2C19ALDH1A1
SCHEMBL20621097 0.79 HRH2 (0.55) POLBRXFP1MTNR1BCYP2C19HRH2

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 3 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
US-9943609-B2 Protein-polymer-drug conjugates MERSANA THERAPEUTICS, INC. (US) 2018-04-17 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 (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 ALOX15 441/4885POLB 1502/4885RXFP1 4211/4885
US-11236122-B2 Triterpene amine derivatives BET1, PGGT1B, NFATC1 ALOX15 441/4885POLB 1502/4885RXFP1 4211/4885

“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.