SCHEMBL6013739

SCHEMBL6013739

COC(=O)C1CCCCN1CCC(O)(c1ccc(Cl)cc1)c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
LTA4H P09960 2/20 0.41
ALDH1A1 P00352 5/20 0.41
TSHR P16473 3/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
CD274 Q9NZQ7 5/20 0.37
PDCD1 Q15116 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
FKBP1A P62942 1/20 0.36
POLB P06746 1/20 0.36
EP300 Q09472 1/20 0.35
CREBBP Q92793 1/20 0.35

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
SCHEMBL6004092 0.88 ALDH1A1 (0.44) KDM4ELTA4HALDH1A1TSHRMAPK1
SCHEMBL6005596 0.82 LTA4H (0.53) KDM4ELTA4HALDH1A1MAPK1SMN1; SMN2
SCHEMBL22459108 0.77 LTA4H (0.47) KDM4ELTA4HALDH1A1TSHRMAPK1
SCHEMBL22458699 0.71 LTA4H (0.47) KDM4ELTA4HALDH1A1SMN1; SMN2
SCHEMBL24168885 0.70 LTA4H (0.56) LTA4HALDH1A1SMN1; SMN2FKBP1A
SCHEMBL22459109 0.70 LTA4H (0.56) LTA4HALDH1A1SMN1; SMN2FKBP1A
SCHEMBL22459103 0.70 LTA4H (0.56) LTA4HALDH1A1SMN1; SMN2FKBP1A
SCHEMBL7181767 0.68 MEN1 (0.60) KDM4ELTA4HALDH1A1SMN1; SMN2FKBP1A
SCHEMBL6540812 0.68 MEN1 (0.60) KDM4ELTA4HALDH1A1SMN1; SMN2FKBP1A
SCHEMBL6006134 0.67 TSHR (0.41) KDM4EALDH1A1TSHRMAPK1RECQL

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-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

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-20010012857-A1 Pharmaceutical for treatment of neurological and neuropsychiatric disorders SLC6A1, SLC18A2, SLC6A11 KDM4E 2050/4885LTA4H 2230/4885ALDH1A1 357/4885

“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.