SCHEMBL4458445

SCHEMBL4458445

CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HTT P42858 1/20 0.48
MC4R P32245 14/20 0.48
MC5R P33032 14/20 0.48
MC3R P41968 13/20 0.48
MC1R Q01726 13/20 0.48
CYP2C19 P33261 1/20 0.47
CYP3A4 P08684 1/20 0.46
FKBP1A P62942 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
SCHEMBL4008924 0.85 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL1324396 0.78 EPHX1 (0.50) MC4RMC5RMC3RMC1R
SCHEMBL14040579 0.76 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL6623800 0.76 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9ACYP2C19FKBP1A
SCHEMBL3216213 0.74 KDM1A (0.61) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL6507786 0.74 STS (0.48) SMN1; SMN2NPC1RAB9AHTT
SCHEMBL31382324 0.74 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL19789927 0.73 MC4R (0.59) MC4RMC5RMC3RMC1R
SCHEMBL7418029 0.73
SCHEMBL18084812 0.73 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AHTTCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253744-A1 Acylated piperidine derivatives as melanocortin-4 receptor modulators MERCK SHARP & DOHME CORP. 2009-10-08 US disclosed
US-20090253744-A1 Acylated piperidine derivatives as melanocortin-4 receptor modulators MERCK SHARP & DOHME CORP. 2009-10-08 US disclosed
US-20090253744-A1 Acylated piperidine derivatives as melanocortin-4 receptor modulators MERCK SHARP & DOHME CORP. 2009-10-08 US disclosed
US-7414057-B2 Piperazine urea derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2008-08-19 US disclosed
US-7414057-B2 Piperazine urea derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2008-08-19 US disclosed
WO-2008039418-A2 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-04-03 WO disclosed
US-6458790-B2 DIETETICS; ANTIDABETIC AGENTS; SEXUAL DISRDERS MERCK & CO., INC. 2002-10-01 US disclosed
US-20020019523-A1 Substituted piperidines as melanocortin receptor agonists MERCK SHARP & DOHME CORP. 2002-02-14 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 (2 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-20090253744-A1 Acylated piperidine derivatives as melanocortin-4 receptor modulators MC4R, MC5R, MC3R SMN1; SMN2 2051/4885NPC1 2960/4885RAB9A 2286/4885
US-20020019523-A1 Substituted piperidines as melanocortin receptor agonists MC4R, MC5R, MC3R SMN1; SMN2 1936/4885NPC1 3358/4885RAB9A 1226/4885

“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.