SCHEMBL6004092

SCHEMBL6004092

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
TSHR P16473 3/20 0.40
LTA4H P09960 2/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
CCR2 P41597 2/20 0.40
PTGER4 P35408 2/20 0.39
CD274 Q9NZQ7 1/20 0.39
GRM2 Q14416 1/20 0.39
EP300 Q09472 1/20 0.38
CREBBP Q92793 1/20 0.38
CCR1 P32246 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6013739 0.88 KDM4E (0.41) ALDH1A1KDM4ETSHRLTA4HMAPK1
SCHEMBL6005596 0.84 LTA4H (0.53) ALDH1A1KDM4ELTA4HMAPK1SMN1; SMN2
SCHEMBL22458699 0.81 LTA4H (0.47) ALDH1A1KDM4ELTA4HGRM2SMN1; SMN2
SCHEMBL22459108 0.81 LTA4H (0.47) ALDH1A1KDM4ETSHRLTA4HMAPK1
SCHEMBL6006140 0.76 TSHR (0.41) ALDH1A1KDM4ETSHRMAPK1RECQL
SCHEMBL6006134 0.76 TSHR (0.41) ALDH1A1KDM4ETSHRMAPK1RECQL
SCHEMBL6003941 0.75 KMT2A (0.47) ALDH1A1TSHRLTA4HPTGER4GRM2
SCHEMBL24168885 0.69 LTA4H (0.56) ALDH1A1LTA4HSMN1; SMN2
SCHEMBL22459109 0.69 LTA4H (0.56) ALDH1A1LTA4HSMN1; SMN2
SCHEMBL22459103 0.69 LTA4H (0.56) ALDH1A1LTA4HSMN1; SMN2

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 ALDH1A1 806/4885KDM4E 1966/4885TSHR 2110/4885
US-20010012857-A1 Pharmaceutical for treatment of neurological and neuropsychiatric disorders SLC6A1, SLC18A2, SLC6A11 ALDH1A1 357/4885KDM4E 2050/4885TSHR 2364/4885

“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.