SCHEMBL5563711

SCHEMBL5563711

O=C(Nc1ccccc1N1CCNCC1)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.72
PLA2G1B P04054 1/20 0.72
ATG4B Q9Y4P1 1/20 0.72
NPSR1 Q6W5P4 5/20 0.64
ALDH1A1 P00352 3/20 0.64
TSHR P16473 3/20 0.64
MAPT P10636 2/20 0.64
USP2 O75604 1/20 0.64
HPGD P15428 1/20 0.64
HSD17B10 Q99714 1/20 0.64
POLB P06746 2/20 0.60
CHEK1 O14757 4/20 0.60
MAPK1 P28482 2/20 0.60
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
TDP1 Q9NUW8 1/20 0.59
MMP1 P03956 1/20 0.59
LMNA P02545 2/20 0.56
GAA P10253 1/20 0.56
SCN9A Q15858 1/20 0.56

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
Hydrochloric Acid SCHEMBL2023240 0.85 POLB (0.76) SMN1; SMN2PLA2G1BATG4BNPSR1ALDH1A1
SCHEMBL19977049 0.84 ALDH1A1 (0.55) SMN1; SMN2PLA2G1BATG4BNPSR1ALDH1A1
SCHEMBL1646808 0.83 CHEK1 (0.55) CHEK1
SCHEMBL7537046 0.82 CHEK1 (0.54) NPSR1MAPTCHEK1
SCHEMBL5343204 0.81 CHEK1 (0.59) SMN1; SMN2NPSR1ALDH1A1TSHRMAPT
SCHEMBL18261141 0.80 CHEK1 (0.51) SMN1; SMN2PLA2G1BATG4BALDH1A1HSD17B10
SCHEMBL16999571 0.80 CHEK1 (0.51) SMN1; SMN2PLA2G1BATG4BALDH1A1HSD17B10
SCHEMBL16999849 0.80 CHEK1 (0.51) SMN1; SMN2PLA2G1BATG4BALDH1A1HSD17B10
SCHEMBL4299849 0.80 CHEK1 (0.52) SMN1; SMN2PLA2G1BATG4BALDH1A1MAPT
SCHEMBL1646812 0.79 NPSR1 (0.51) NPSR1MAPTCHEK1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603912-B1 SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS CH (CH) 2007-07-18 EP disclosed
US-20060241123-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2006-10-26 US disclosed
EP-1603912-A1 SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Santhera Pharmaceuticals (Schweiz) GmbH (CH) 2005-12-14 EP disclosed
WO-2004083209-A1 SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2004-09-30 WO 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-20060241123-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators MC4R, MC5R, MC3R SMN1; SMN2 1508/4885PLA2G1B 4492/4885ATG4B 242/4885

“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.