SCHEMBL5565673

SCHEMBL5565673

NC(=O)C(Cc1ccccc1)NC1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.51
ALDH1A1 P00352 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 2/20 0.48
EPHX1 P07099 2/20 0.48
TAAR1 Q96RJ0 1/20 0.48
MME P08473 1/20 0.47
ACE P12821 1/20 0.47
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
ANPEP P15144 2/20 0.46
ERAP2 Q6P179 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL6439790 0.88 EPHX2 (0.56) EPHX2ALDH1A1TDP1KDM4EHPGD
SCHEMBL29069408 0.88 EPHX2 (0.56) EPHX2ALDH1A1TDP1KDM4EHPGD
SCHEMBL6439794 0.88 EPHX2 (0.56) EPHX2ALDH1A1TDP1KDM4EHPGD
SCHEMBL12678083 0.86 MME (0.54) EPHX2ALDH1A1TDP1KDM4EMME
SCHEMBL7257313 0.86 MME (0.54) EPHX2ALDH1A1TDP1KDM4EMME
SCHEMBL30882700 0.86 TAAR1 (0.52) EPHX2ALDH1A1HPGDEPHX1TAAR1
SCHEMBL15577640 0.86 POLB (0.43) ALDH1A1EPHX1
Hydrochloric Acid SCHEMBL30882654 0.85 TAAR1 (0.51) EPHX2ALDH1A1HPGDEPHX1TAAR1
SCHEMBL7258036 0.83 MME (0.54) EPHX2ALDH1A1TDP1MMEACE
SCHEMBL10933319 0.83 MME (0.54) EPHX2ALDH1A1TDP1MMEACE

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 EPHX2 4748/4885ALDH1A1 2415/4885TDP1 4732/4885
US-20070155783-A1 Substituted cyclohexyl and piperidinyl derivates as melanocortin-4 receptor modulators MC4R, MC5R, MC3R EPHX2 4647/4885ALDH1A1 2866/4885TDP1 4771/4885
US-20060241123-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators MC4R, MC5R, MC3R EPHX2 4748/4885ALDH1A1 2415/4885TDP1 4732/4885

“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.