SCHEMBL19862568

SCHEMBL19862568

CC(C)N1CCCN(CC(=O)N(C)C)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.55
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH3 Q9Y5N1 10/20 0.38
CACNA2D1 P54289 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNB1 Q02641 1/20 0.35
CACNA1C Q13936 1/20 0.35
CHRM1 P11229 1/20 0.35
NPC1 O15118 1/20 0.34

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
SCHEMBL12304483 0.93 ALDH1A1 (0.53) SIGMAR1ALDH1A1MEN1POLBKMT2A
SCHEMBL19865654 0.86 SIGMAR1 (0.51) SIGMAR1ALDH1A1MEN1POLBKMT2A
SCHEMBL15043685 0.86 ALDH1A1 (0.59) SIGMAR1ALDH1A1MEN1KMT2ANPC1
SCHEMBL4958458 0.84 ALDH1A1 (0.56) SIGMAR1ALDH1A1MEN1KMT2ACHRM1
SCHEMBL14725157 0.81 SIGMAR1 (0.59) SIGMAR1HRH3CHRM1NPC1
SCHEMBL14036400 0.81 SIGMAR1 (0.44) SIGMAR1ALDH1A1MEN1POLBKMT2A
SCHEMBL22871959 0.81 SIGMAR1 (0.59) SIGMAR1HRH3CHRM1NPC1
SCHEMBL8290941 0.80 ALDH1A1 (0.56) SIGMAR1ALDH1A1MEN1KMT2ACHRM1
SCHEMBL942529 0.79 SIGMAR1 (0.57) SIGMAR1ALDH1A1POLBHRH3CHRM1
SCHEMBL22891243 0.79 ALDH1A1 (0.50) SIGMAR1ALDH1A1MEN1POLBKMT2A

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-20210147385-A1 COMPOUNDS AND METHODS FOR TARGETING PATHOGENIC BLOOD VESSELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-05-20 US disclosed
US-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-02-15 US disclosed
US-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-02-15 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-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE PDE3A, PDE2A, PDE5A SIGMAR1 3563/4885ALDH1A1 436/4885MEN1 3475/4885
US-20210147385-A1 COMPOUNDS AND METHODS FOR TARGETING PATHOGENIC BLOOD VESSELS TEK, KDR, LIPG SIGMAR1 4594/4885ALDH1A1 3295/4885MEN1 2514/4885

“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.