SCHEMBL6003941

SCHEMBL6003941

COC(=O)C1CCCCN1CCC(=O)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
CHRM2 P08172 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
DRD1 P21728 1/20 0.47
ADRA1A P35348 1/20 0.47
OPRM1 P35372 1/20 0.47
DRD3 P35462 1/20 0.47
KCNH2 Q12809 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
PTGER4 P35408 2/20 0.47
LTA4H P09960 2/20 0.45
ACKR3 P25106 1/20 0.45
GRM2 Q14416 1/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL6004077 0.88 LTA4H (0.55) KMT2AMEN1PTGER4LTA4HSMN1; SMN2
SCHEMBL6006134 0.76 TSHR (0.41) PTGER4GRM2TSHRALDH1A1
SCHEMBL6006140 0.76 TSHR (0.41) PTGER4GRM2TSHRALDH1A1
SCHEMBL22458699 0.75 LTA4H (0.47) ADRA1ALTA4HGRM2SMN1; SMN2ALDH1A1
SCHEMBL20248642 0.75 CTSK (0.56) KMT2AMEN1ADRA1ALTA4HSMN1; SMN2
SCHEMBL6004092 0.75 ALDH1A1 (0.44) PTGER4LTA4HGRM2SMN1; SMN2TSHR
SCHEMBL8669709 0.74 DRD2 (0.56) KMT2AMEN1CHRM2HTR1AADRA2A
SCHEMBL13265439 0.73 KCNK3 (0.53) KCNH2LTA4HSMN1; SMN2TSHRALDH1A1
Hydrochloric Acid SCHEMBL28203039 0.73 KCNK3 (0.51) KCNH2PTGER4SMN1; SMN2TSHRLMNA
SCHEMBL9034670 0.72 MEN1 (0.43) KMT2AMEN1CHRM2HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060287298-A1 Pharmaceutical for treatment of neurological and neuropsychiatric disorders ALLELIX NEUROSCIENCE INC. 2006-12-21 US disclosed
EP-1014966-B1 PHARMACEUTICAL FOR TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS ALLELIX NEUROSCIENCE INC (US) 2006-08-02 EP disclosed
US-7019024-B2 Pharmaceutical for treatment of neurological and neuropsychiatric disorders ALLELIX NEUROSCIENCE INC. (US) 2006-03-28 US disclosed
US-20010012857-A1 Pharmaceutical for treatment of neurological and neuropsychiatric disorders NPS PHARMACEUTICALS, INC. 2001-08-09 US disclosed
US-6191165-B1 ANTIDEPRESSANTS; SCHIZOPHRENIA; ALZHEIMER'S DISEASE; ANTIEPILEPTIC AGENTS ALLELIX NEUROSCIENCE INC. 2001-02-20 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 (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-20060287298-A1 Pharmaceutical for treatment of neurological and neuropsychiatric disorders SLC18A2, SLC6A1, SLC6A11 KMT2A 476/4885MEN1 1573/4885CHRM2 1061/4885
US-20010012857-A1 Pharmaceutical for treatment of neurological and neuropsychiatric disorders SLC6A1, SLC18A2, SLC6A11 KMT2A 529/4885MEN1 895/4885CHRM2 1046/4885

“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.