SCHEMBL15737883

SCHEMBL15737883

c1ccc2nc(C3CNCCN3N3CCCCC3)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 2/20 0.43
CYP1A2 P05177 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
USP2 O75604 1/20 0.43
HTR3B O95264 1/20 0.43
ADRB1 P08588 1/20 0.43
HTR1A P08908 1/20 0.43
HTR2C P28335 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR7 P34969 1/20 0.43
HTT P42858 1/20 0.43
HTR3A P46098 1/20 0.43
HTR6 P50406 1/20 0.43
PMP22 Q01453 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 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
SCHEMBL15737884 0.82 CYP3A4 (0.46) CYP3A4KDM4EALDH1A1HSD17B10MAPK1
SCHEMBL6017212 0.79 KDM4E (0.47) CYP3A4KDM4EALDH1A1HSD17B10MAPK1
SCHEMBL9010420 0.76 KDM4E (0.55) CYP3A4KDM4EALDH1A1HSD17B10MAPK1
SCHEMBL8168669 0.75 KDM4E (0.43) CYP3A4KDM4EALDH1A1HSD17B10MAPK1
SCHEMBL3585729 0.73 CYP3A4 (0.43) CYP3A4KDM4EALDH1A1HSD17B10MAPK1
SCHEMBL16670528 0.69 ALDH1A1 (0.33) ALDH1A1HTR2CHRH3
SCHEMBL9733257 0.66 CYP3A4 (0.41) CYP3A4KDM4EALDH1A1HSD17B10MAPK1
SCHEMBL1740642 0.66 ALDH1A1 (0.47) CYP3A4KDM4EALDH1A1HSD17B10MAPK1
SCHEMBL2583636 0.65 CYP3A4 (0.42) CYP3A4KDM4EALDH1A1HSD17B10MAPK1
Hydrochloric Acid SCHEMBL2596035 0.65 ALDH1A1 (0.46) CYP3A4KDM4EALDH1A1HSD17B10MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079895-B2 Morpholino compounds, uses and methods UNIVERSITY OF DUNDEE (GB) 2015-07-14 US disclosed
US-20140148452-A1 MORPHOLINO COMPOUNDS, USES AND METHODS UNIVERSITY OF DUNDEE (GB) 2014-05-29 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-20140148452-A1 MORPHOLINO COMPOUNDS, USES AND METHODS HTR1A, HTR1E, HTR1D CYP3A4 2395/4885KDM4E 1579/4885ALDH1A1 2568/4885

“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.