SCHEMBL5565030

SCHEMBL5565030

O=C(Nc1ccccc1)[C@H](Cc1ccccc1)NN1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
CYP2D6 P10635 2/20 0.49
POLB P06746 1/20 0.49
GPR142 Q7Z601 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
IDO1 P14902 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
FPR2 P25090 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KDM1A O60341 1/20 0.42
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL5561716 0.86 MAPT (0.51) MAPTCYP2D6POLBGPR142SMN1; SMN2
SCHEMBL4529791 0.85 POLB (0.49) POLBKMT2ASLC6A2SLC6A4NPSR1
SCHEMBL4529797 0.85 POLB (0.49) POLBKMT2ASLC6A2SLC6A4NPSR1
SCHEMBL8915081 0.75 MMP2 (0.56) MAPT
SCHEMBL25386615 0.75 POLB (0.56) POLBKMT2ANPSR1CYP1A2
SCHEMBL16254380 0.74 CYP2D6 (0.54) MAPTCYP2D6GPR142SMN1; SMN2MEN1
SCHEMBL6373118 0.73 FPR2 (0.49) MAPTSMN1; SMN2FPR2
SCHEMBL6373121 0.73 FPR2 (0.49) MAPTSMN1; SMN2FPR2
SCHEMBL6376364 0.73 FPR2 (0.49) MAPTSMN1; SMN2FPR2
SCHEMBL4559547 0.72 POLB (0.56) MAPTCYP2D6POLBSMN1; SMN2MEN1

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 11 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-20070155783-A1 Substituted cyclohexyl and piperidinyl derivates as melanocortin-4 receptor modulators SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-07-05 US disclosed
EP-1460070-B1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators SANTHERA PHARMACEUTICALS CH (CH) 2007-05-16 EP disclosed
US-20060276485-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2006-12-07 US 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-1606278-A1 SUBSTITUTED CYCLOHEXYL AND PIPERIDINYL DERIVATES AS MELANOCORTIN-4 RECEPTOR MODULATORS Santhera Pharmaceuticals (Schweiz) GmbH (CH) 2005-12-21 EP disclosed
EP-1606281-A1 SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Santhera Pharmaceuticals (Schweiz) GmbH (CH) 2005-12-21 EP 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-2004083199-A1 SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2004-09-30 WO disclosed
WO-2004083209-A1 SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2004-09-30 WO disclosed
WO-2004083198-A1 SUBSTITUTED CYCLOHEXYL AND PIPERIDINYL DERIVATES 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 (3 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-20060276485-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators MC4R, MC5R, MC3R MAPT 3664/4885CYP2D6 3840/4885POLB 2972/4885
US-20070155783-A1 Substituted cyclohexyl and piperidinyl derivates as melanocortin-4 receptor modulators MC4R, MC5R, MC3R MAPT 3490/4885CYP2D6 2894/4885POLB 3261/4885
US-20060241123-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators MC4R, MC5R, MC3R MAPT 3664/4885CYP2D6 3840/4885POLB 2972/4885

“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.