SCHEMBL14440887

SCHEMBL14440887

N[C@@H]1C[C@H](N)CN(c2nc(NC3CCCCC3)nc(N3CCC[C@H](N)C3)n2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
IDH2 P48735 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
HRH4 Q9H3N8 5/20 0.40
PRKD1 Q15139 1/20 0.39
PRKD2 Q9BZL6 1/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL5455697 0.92 HTT (0.49) HTTSMN1; SMN2NPSR1CTSLCTSB
SCHEMBL5382801 0.92 HTT (0.49) HTTSMN1; SMN2NPSR1CTSLCTSB
SCHEMBL5458339 0.92 HTT (0.49) HTTSMN1; SMN2NPSR1CTSLCTSB
SCHEMBL14533282 0.86 IDH2 (0.39) HTTSMN1; SMN2NPSR1CTSLCTSB
SCHEMBL5380616 0.84 ADRA1D (0.47) IDH2HRH4ADRA1DADRA1BADRA1A
SCHEMBL14504419 0.78 SMN1; SMN2 (0.72) HTTSMN1; SMN2NPSR1CTSLCTSB
SCHEMBL14504177 0.78 SMN1; SMN2 (0.72) HTTSMN1; SMN2NPSR1CTSLCTSB
SCHEMBL14504424 0.78 SMN1; SMN2 (0.72) HTTSMN1; SMN2NPSR1CTSLCTSB
SCHEMBL5450826 0.78 IDH2 (0.42) HTTSMN1; SMN2NPSR1CTSLCTSB
SCHEMBL5430492 0.78 CTSL (0.43) HTTSMN1; SMN2NPSR1CTSLCTSB

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-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 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-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds DDC, DPP3, AMPD3 HTT 949/4885SMN1; SMN2 3797/4885NPSR1 3969/4885

“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.