SCHEMBL719491

SCHEMBL719491

Nc1cc2c(cc1N)CCN(C(=O)O)CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ESR1 P03372 3/20 0.36
ESR2 Q92731 3/20 0.36
DRD1 P21728 1/20 0.36
DRD5 P21918 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
NR1H2 P55055 1/20 0.36

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
SCHEMBL5557727 0.89 KDM4E (0.55) DRD2KMT2AMEN1MAPTKDM4E
SCHEMBL6140224 0.87 DRD2 (0.35) DRD2KMT2AMEN1MAPTTAAR1
SCHEMBL722818 0.82 HPGD (0.44) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL17797658 0.81 NR1H2 (0.55) DRD2KMT2AMEN1MAPTTAAR1
SCHEMBL28682598 0.79 CA1 (0.41) KMT2AMEN1MAPTKDM4EESR1
SCHEMBL28700711 0.79 CA1 (0.38) KMT2AMEN1KDM4EALDH1A1ESR1
SCHEMBL28533143 0.79 ESR1 (0.38) KMT2AMEN1KDM4EALDH1A1ESR1
SCHEMBL28535324 0.79 ESR1 (0.38) KMT2AMEN1KDM4EALDH1A1ESR1
SCHEMBL719456 0.77 ESR1 (0.56) PKMESR1ESR2CA1CA2
SCHEMBL20214714 0.76 ESR2 (0.42) KMT2AKDM4EALDH1A1GAAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053168-A1 FUSED BENZOAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2012-03-01 US disclosed
WO-2010096384-A2 FUSED BENZAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2010-08-26 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-20120053168-A1 FUSED BENZOAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA2, CHRNA5, CHRNA10 DRD2 282/4885KMT2A 1526/4885MEN1 3691/4885

“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.