SCHEMBL4227016

SCHEMBL4227016

CCCCN1CCC(Oc2ccc(C(=O)N3CCCOc4cc(O)ccc43)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
ESR1 P03372 2/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ADRB2 P07550 2/20 0.42
HTR4 Q13639 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
PLA2G1B P04054 1/20 0.41
POLB P06746 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL4239009 0.95 MAOA (0.44) MAOAMAOBESR1KMT2AMEN1
SCHEMBL4233458 0.91 ADRB2 (0.46) MAOAMAOBKMT2AMEN1ADRB2
SCHEMBL4240285 0.86 ADRB2 (0.45) MAOAMAOBKMT2AMEN1ADRB2
SCHEMBL4233515 0.84 HTR4 (0.43) MAOAMAOBKMT2AMEN1ADRB2
SCHEMBL4242398 0.83 MAOA (0.41) MAOAMAOBKMT2AMEN1ADRB2
SCHEMBL4229335 0.81 KMT2A (0.37) MAOAMAOBKMT2AMEN1ADRB2
SCHEMBL4231930 0.80 MEN1 (0.41) MAOAMAOBKMT2AMEN1POLB
SCHEMBL4226703 0.78 SMN1; SMN2 (0.39) KMT2AMEN1ALDH1A1
SCHEMBL4233984 0.76 KDR (0.38) MAOAMAOBHRH3LMNA
SCHEMBL4232026 0.72 SSTR5 (0.53) MAOAMAOBKMT2AMEN1ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 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-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R MAOA 219/4885MAOB 169/4885ESR1 1139/4885

“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.