SCHEMBL23327043

SCHEMBL23327043

CCCCN(CCCC)CCNCc1ccc(N)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
CXCR4 P61073 1/20 0.36
LMNA P02545 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 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
SCHEMBL29798282 1.00 MAPT (0.42) MAPTHRH4HRH3SMN1; SMN2CYP1A2
SCHEMBL2233920 0.84 SMN1; SMN2 (0.41) HRH4HRH3SMN1; SMN2CXCR4GABRP
SCHEMBL28478495 0.80 OPRM1 (0.40) MAPTSMN1; SMN2CXCR4S1PR2S1PR4
SCHEMBL21412738 0.77 KDM4E (0.43) SMN1; SMN2CXCR4LMNAS1PR2S1PR1
SCHEMBL10863389 0.77 MC4R (0.46) CXCR4GABRPGABRDGABRA1GABRB1
Trifluoroacetic Acid SCHEMBL29798318 0.76 GABRP (0.42) SMN1; SMN2CYP2C19LMNAGABRPGABRD
Trifluoroacetic Acid SCHEMBL23327049 0.76 GABRP (0.42) SMN1; SMN2CYP2C19LMNAGABRPGABRD
SCHEMBL29798459 0.73 MAPT (0.43) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL23327044 0.73 HCAR3 (0.46) HRH4HRH3SMN1; SMN2CYP1A2CYP2D6
SCHEMBL29798534 0.73 HCAR3 (0.46) HRH4HRH3SMN1; SMN2CYP1A2CYP2D6

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-20210139429-A1 COMPOUNDS FOR TREATMENT OF CARDIAC ARRHYTHMIAS AND HEART FAILURE ELEX BIOTECH, INC. (US) 2021-05-13 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-20210139429-A1 COMPOUNDS FOR TREATMENT OF CARDIAC ARRHYTHMIAS AND HEART FAILURE RYR2, RYR1, CACNA1F MAPT 341/4885HRH4 1054/4885HRH3 1637/4885

“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.