SCHEMBL862072

SCHEMBL862072

NCC1CCC(N(Cc2ccccc2)C(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGER Q15109 3/20 0.47
MTNR1A P48039 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM3 P20309 1/20 0.47
OPRM1 P35372 6/20 0.46
CTSD P07339 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MC4R P32245 3/20 0.43
MC5R P33032 3/20 0.43
MC3R P41968 3/20 0.43
SMYD3 Q9H7B4 1/20 0.42
DPP4 P27487 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
DCUN1D1 Q96GG9 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
SCHEMBL862071 1.00 AGER (0.47) AGERMTNR1ACHRM2CHRM3OPRM1
SCHEMBL3370759 0.88 AGER (0.55) AGERMTNR1ACHRM2CHRM3OPRM1
SCHEMBL77425 0.84 MC4R (0.54) AGERMTNR1ACHRM2CHRM3OPRM1
SCHEMBL738277 0.84 MC4R (0.54) AGERMTNR1ACHRM2CHRM3OPRM1
SCHEMBL736913 0.82 AGER (0.50) AGERMTNR1ACHRM2CHRM3OPRM1
SCHEMBL736914 0.82 AGER (0.50) AGERMTNR1ACHRM2CHRM3OPRM1
SCHEMBL2400009 0.81 OPRM1 (0.51) AGERMTNR1ACHRM2CHRM3OPRM1
SCHEMBL13275447 0.81 OPRM1 (0.51) AGERMTNR1ACHRM2CHRM3OPRM1
SCHEMBL2400012 0.81 OPRM1 (0.51) AGERMTNR1ACHRM2CHRM3OPRM1
SCHEMBL481562 0.80 YTHDC1 (0.49) MEN1KMT2AMC4RMC5RMC3R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432760-A1 BRIDGED SPIRO [2.4]HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-03-28 EP disclosed
US-7273880-B2 Selective NPY (Y5) antagonists H. LUNBECK A/S (DK) 2007-09-25 US disclosed
US-20050137240-A1 Selective NPY (Y5) antagonists H. LUNDBECK A/S (DK) 2005-06-23 US disclosed
EP-1194421-A4 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMA CORP (US) 2002-09-11 EP disclosed
EP-1194421-A1 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2002-04-10 EP disclosed
US-6225330-B1 Selective NPY (Y5) antagonists (tricyclics) SYNAPTIC PHARMACEUTICAL CORPORATION 2001-05-01 US disclosed
WO-2001002379-A1 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2001-01-11 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-20050137240-A1 Selective NPY (Y5) antagonists NPY5R, NPY1R, NPY2R AGER 1009/4885MTNR1A 298/4885CHRM2 319/4885

“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.