SCHEMBL8203750

SCHEMBL8203750

O=[N+]([O-])c1ccc(F)cc1NCCCCO

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSTM2 P28161 1/20 0.54
ALDH1A1 P00352 3/20 0.53
MAPT P10636 3/20 0.53
KAT2B Q92831 2/20 0.49
TDP1 Q9NUW8 2/20 0.46
ATM Q13315 1/20 0.46
BCL6 P41182 1/20 0.46
BCOR Q6W2J9 1/20 0.46
SIRT5 Q9NXA8 2/20 0.45
PRSS1 P07477 2/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL8200406 0.90 ALDH1A1 (0.55) ALDH1A1MAPTKAT2BTDP1ATM
SCHEMBL8196345 0.85 SIRT5 (0.55) MAPTKAT2BTDP1ATMSIRT5
SCHEMBL8336041 0.84 ALDH1A1 (0.56) GSTM2ALDH1A1MAPTKAT2BTDP1
SCHEMBL1283854 0.84 MAPT (0.54) ALDH1A1MAPTKAT2BTDP1ATM
SCHEMBL14155094 0.83 GSTM2 (0.54) GSTM2ALDH1A1MAPTKAT2BTDP1
SCHEMBL1420919 0.82 LMNA (0.56) ALDH1A1MAPTKAT2BTDP1ATM
SCHEMBL17845498 0.82 ATM (0.51) ALDH1A1MAPTKAT2BTDP1ATM
SCHEMBL30532042 0.82 ATM (0.51) ALDH1A1MAPTKAT2BTDP1ATM
SCHEMBL3515437 0.81 HCAR3 (0.52) ALDH1A1MAPTKAT2BTDP1ATM
SCHEMBL7745956 0.81 LMNA (0.57) ALDH1A1MAPTKAT2BTDP1ATM

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-20070072870-A2 PHENYLPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARMECEUTICALS B.V. (NL) 2007-03-29 US disclosed
US-20060122189-A1 Phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition SOLVAY PHARMACEUTICALS B.V. 2006-06-08 US disclosed
US-6121264-A GLUTAMATE RECEPTOR ANTAGONIST, AMPA RECEPTOR ANTAGONIST, NMDA-GLYCINE RECEPTOR ANTAGONIST, KAINIC ACID NEUROTOXICITY INHIBITOR, ANTIISCHEMIC AGENT, PSYCHOTROPIC AGENT YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2000-09-19 US disclosed
EP-0919554-A1 IMIDAZOLE-SUBSTITUTED QUINOXALINEDIONE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1999-06-02 EP 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-20070072870-A2 PHENYLPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION HTR2C, HTR2A, HTR5A GSTM2 1222/4885ALDH1A1 1420/4885MAPT 755/4885
US-20060122189-A1 Phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition HTR2C, HTR2A, HTR5A GSTM2 1222/4885ALDH1A1 1420/4885MAPT 755/4885

“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.