SCHEMBL30161367

SCHEMBL30161367

C(CCC1CNCCNCCCNCCNC1)CCC1CNCCNCCCNCCNC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NAAA Q02083 1/20 0.37
HRH3 Q9Y5N1 3/20 0.37
SIGMAR1 Q99720 1/20 0.32
HRH4 Q9H3N8 2/20 0.32
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.30
SLC6A1 P30531 2/20 0.30
GABRA5 P31644 2/20 0.30
GABRB2 P47870 2/20 0.30
SLC6A12 P48065 2/20 0.30
SLC6A11 P48066 2/20 0.30
SLC6A13 Q9NSD5 2/20 0.30
GABRA1 P14867 1/20 0.30
GABRR1 P24046 1/20 0.30
GABRA4 P48169 1/20 0.30
CPN1 P15169 1/20 0.30
CPB2 Q96IY4 1/20 0.30

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
SCHEMBL30969422 0.93 CXCR4 (0.45) CXCR4SMN1; SMN2NAAAHRH3HRH4
SCHEMBL9594707 0.90 NAAA (0.36) CXCR4SMN1; SMN2NAAAHRH3KMT2A
SCHEMBL3992151 0.90 GNAO1 (0.39) CXCR4SMN1; SMN2ALDH1A1
SCHEMBL3990249 0.87 GNAO1 (0.40) ALDH1A1
SCHEMBL9001513 0.87 SIGMAR1 (0.45) CXCR4SMN1; SMN2NAAAHRH3SIGMAR1
SCHEMBL3994117 0.86 GNAO1 (0.39) ALDH1A1
SCHEMBL29381021 0.85 HIF1A (0.35) CXCR4SMN1; SMN2HRH3SLC6A1GABRA5
SCHEMBL11544455 0.85 SIGMAR1 (0.47) CXCR4SMN1; SMN2NAAAHRH3SIGMAR1
SCHEMBL13693501 0.82 SIGMAR1 (0.39) CXCR4SMN1; SMN2NAAAHRH3SIGMAR1
SCHEMBL11540777 0.82 GNAO1 (0.42) ALDH1A1

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-20230000924-A1 COMPOSITIONS AND METHODS FOR GENERATION OF SINOATRIAL NODE-LIKE CELLS AND THEIR USE IN DRUG DISCOVERY CORNELL UNIVERSITY 2023-01-05 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-20230000924-A1 COMPOSITIONS AND METHODS FOR GENERATION OF SINOATRIAL NODE-LIKE CELLS AND THEIR USE IN DRUG DISCOVERY TNNI3, TNNT2, TNNC1 CXCR4 2604/4885SMN1; SMN2 2337/4885NAAA 1412/4885

“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.