SCHEMBL7214730

SCHEMBL7214730

CC(C)(C)OC(=O)NCCc1c[nH]c2ccc(OCC(=O)O)cc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.59
PLA2G2A P14555 4/20 0.59
TRPM8 Q7Z2W7 1/20 0.58
FAAH O00519 2/20 0.58
MTNR1A P48039 8/20 0.57
MTNR1B P49286 6/20 0.57
HTR1A P08908 2/20 0.55
KMT2A Q03164 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP1A1 P04798 1/20 0.55
MPO P05164 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
HPGD P15428 1/20 0.55
NQO2 P16083 1/20 0.55
HTR2B P41595 1/20 0.55
RAB9A P51151 1/20 0.55

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
SCHEMBL14961084 0.89 TRPM8 (0.63) LTA4HPLA2G2ATRPM8FAAHMTNR1A
SCHEMBL6927448 0.87 MTNR1A (0.74) FAAHMTNR1AMTNR1BHTR1AKMT2A
SCHEMBL15996572 0.87 TRPM8 (0.61) LTA4HPLA2G2ATRPM8FAAHMTNR1A
SCHEMBL8880324 0.86 MTNR1A (0.60) LTA4HPLA2G2ATRPM8FAAHMTNR1A
SCHEMBL8880875 0.85 MTNR1A (0.59) LTA4HPLA2G2ATRPM8FAAHMTNR1A
SCHEMBL8629672 0.85 MTNR1A (0.65) LTA4HPLA2G2ATRPM8FAAHMTNR1A
SCHEMBL14907340 0.85 HTR1A (0.66) LTA4HPLA2G2ATRPM8MTNR1AMTNR1B
SCHEMBL14907343 0.85 HTR1A (0.66) LTA4HPLA2G2ATRPM8MTNR1AMTNR1B
SCHEMBL30418479 0.84 TRPV1 (0.66) FAAHMTNR1AMTNR1BHTR1AKMT2A
SCHEMBL25734745 0.84 TRPV1 (0.66) FAAHMTNR1AMTNR1BHTR1AKMT2A

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-6589953-B2 Treatment of anxiety, depression, aggressiveness, panic attacks, obsessive-compulsive disorders, schizophrenia, suicidal tendency, neurodegenerative disorders such as Alzheimer's disease, Parkinson's disease PIERRE FABRE MEDICAMENT (FR) 2003-07-08 US disclosed
US-20020061891-A1 Indole derivatives as 5-HT1B and 5-HT1D agonists PEREZ MICHEL (FR) 2002-05-23 US disclosed
US-6277853-B1 FOR TREATMENT OF NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS, MIGRAINES, ALCOHOLISM PIERRE FABRE MEDICAMENT (FR) 2001-08-21 US disclosed
US-5726177-A HEADACHES; ANXIOLYTIC AGENTS, ANTIDEPRESSANTS, ANALGESICS PIERRE FABRE MEDICAMENT (FR) 1998-03-10 US 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-20020061891-A1 Indole derivatives as 5-HT1B and 5-HT1D agonists HTR1B, HTR1A, HTR1D LTA4H 842/4885PLA2G2A 1255/4885TRPM8 1066/4885

“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.