SCHEMBL5688014

SCHEMBL5688014

O=C(O)CCn1nnnc1SC1CCN(C(=O)Oc2ccc(Cc3ccccn3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.36
ALDH1A1 P00352 5/20 0.36
CYP2C9 P11712 5/20 0.36
HSD17B10 Q99714 4/20 0.36
CYP1A2 P05177 4/20 0.36
TSHR P16473 3/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP2C19 P33261 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
NPY2R P49146 1/20 0.35
CYP2D6 P10635 1/20 0.34
SMO Q99835 1/20 0.34
LIPE Q05469 1/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33

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
SCHEMBL5690248 0.92 NPY2R (0.37) CYP3A4ALDH1A1CYP2C9HSD17B10CYP1A2
SCHEMBL5687424 0.90 GAA (0.35) ALDH1A1NPC1RAB9AGAANPY2R
SCHEMBL5690369 0.88 NOS3 (0.34) ALDH1A1CYP2C9CYP1A2CYP2C19NPC1
SCHEMBL5687508 0.88 TDP1 (0.40) CYP3A4ALDH1A1CYP2C9HSD17B10CYP1A2
SCHEMBL5688370 0.87 SMO (0.33) CYP2C9CYP1A2CYP2C19GAANPY2R
SCHEMBL5688877 0.87 ALDH1A1 (0.35) ALDH1A1CYP1A2CYP2C19NPC1RAB9A
SCHEMBL5931604 0.87 ALDH1A1 (0.39) CYP3A4ALDH1A1CYP2C9HSD17B10CYP1A2
SCHEMBL5690035 0.87 SMO (0.38) CYP3A4ALDH1A1CYP2C9HSD17B10CYP1A2
SCHEMBL5931500 0.87 FFAR1 (0.39) CYP3A4ALDH1A1CYP2C9HSD17B10CYP1A2
SCHEMBL5687203 0.85 LIPE (0.45) LIPE

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
US-20060160851-A1 Substituted piperidine carbamates NOVO NORDISK A/S (DK) 2006-07-20 US claimed
US-20060160851-A1 Substituted piperidine carbamates NOVO NORDISK A/S (DK) 2006-07-20 US disclosed
EP-1636207-A1 SUBSTITUTED PIPERIDINE CARBAMATES FOR USE AS INHIBITORS OF HORMONE SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2006-03-22 EP disclosed
WO-2004111032-A1 SUBSTITUTED PIPERIDINE CARBAMATES FOR USE AS INHIBITORS OF HORMONE SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-12-23 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-20060160851-A1 Substituted piperidine carbamates LIPE, PNLIP, LIPC CYP3A4 1516/4885ALDH1A1 1044/4885CYP2C9 2274/4885

“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.