SCHEMBL26501625

SCHEMBL26501625

Cc1ccnc(N2CCN(C(=O)Cc3ccc(C(C)C)cc3)CC2)n1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 10/20 0.80
GBA1 P04062 1/20 0.49
SLC6A7 Q99884 1/20 0.49
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
SORD Q00796 1/20 0.47
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 1/20 0.44
OGA O60502 1/20 0.44
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL21406415 0.89 PANK3 (1.00) PANK3KDM4ESMN1; SMN2ALDH1A1HTT
SCHEMBL26501614 0.80 PANK3 (0.74) PANK3
SCHEMBL26501643 0.79 PANK3 (0.81) PANK3KDM4ESMN1; SMN2HPGDNPSR1
SCHEMBL26502420 0.78 PANK3 (0.69) PANK3KDM4ESMN1; SMN2HTTPOLB
SCHEMBL26502429 0.78 PANK3 (0.59) PANK3GBA1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL26501618 0.78 PANK3 (0.76) PANK3KDM4ESMN1; SMN2ALDH1A1HTT
SCHEMBL22489186 0.78 PANK3 (0.63) PANK3GBA1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL26501319 0.77 PANK3 (0.79) PANK3
SCHEMBL26501471 0.76 PANK3 (0.73) PANK3KDM4ESMN1; SMN2
SCHEMBL27722995 0.76 SLC6A7 (0.64) GBA1SLC6A7KDM4ESORDALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2023-10-12 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 (1 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-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR HMGCR, GCDH, CYP11A1 PANK3 1573/4885GBA1 283/4885SLC6A7 1742/4885

“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.