SCHEMBL14299540

SCHEMBL14299540

Cn1c(=O)c2c(ncn2CCN2CCN(c3ccc(N(O)O)cc3)CC2)n(C)c1=O

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.64
HTR6 P50406 1/20 0.64
RAB9A P51151 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
RXFP1 Q9HBX9 3/20 0.53
MAPT P10636 2/20 0.53
ADORA2B P29275 7/20 0.52
LMNA P02545 1/20 0.52
MAPK1 P28482 2/20 0.49
HTR1A P08908 2/20 0.48
CHRM1 P11229 2/20 0.48
DRD2 P14416 2/20 0.48
ADRA1D P25100 2/20 0.48
ADRA1A P35348 2/20 0.48
ADRA1B P35368 2/20 0.48
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL14299185 0.87 HTR7 (0.69) HTR7HTR6RAB9AL3MBTL1RXFP1
SCHEMBL4478721 0.86 HTR6 (0.67) HTR7HTR6RAB9AL3MBTL1RXFP1
SCHEMBL1810048 0.86 HTR7 (0.84) HTR7HTR6RAB9AL3MBTL1RXFP1
SCHEMBL11148728 0.84 RXFP1 (0.65) HTR7HTR6RAB9AL3MBTL1RXFP1
SCHEMBL12578899 0.84 HTR7 (0.65) HTR7HTR6RAB9AL3MBTL1RXFP1
SCHEMBL460511 0.82 MAPT (0.73) HTR7HTR6RAB9AL3MBTL1RXFP1
Hydrochloric Acid SCHEMBL2296360 0.82 MAPT (0.72) HTR7HTR6RAB9AL3MBTL1RXFP1
SCHEMBL11155310 0.80 HTR7 (0.74) HTR7HTR6RAB9AL3MBTL1RXFP1
SCHEMBL4462834 0.79 MAPK1 (0.72) HTR7HTR6L3MBTL1MAPTLMNA
SCHEMBL682813 0.78 HTR7 (0.62) HTR7HTR6RAB9AL3MBTL1RXFP1

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-20120321584-A1 PROCESSES FOR PREPARING AMINE SALTS OF KMUP-3 AND USE THEREOF KAOHSIUNG MEDICAL UNIVERSITY (TW) 2012-12-20 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-20120321584-A1 PROCESSES FOR PREPARING AMINE SALTS OF KMUP-3 AND USE THEREOF KYAT3, PHYKPL, PLOD3 HTR7 2708/4885HTR6 2707/4885RAB9A 3846/4885

“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.