SCHEMBL6006140

SCHEMBL6006140

COC(=O)C1CCCCN1CC=C(c1ccc(F)cc1)c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
PTGER4 P35408 2/20 0.39
GRM2 Q14416 1/20 0.39
TP53 P04637 1/20 0.39
MGLL Q99685 1/20 0.38
HSD11B1 P28845 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
CCR1 P32246 2/20 0.38
CD274 Q9NZQ7 1/20 0.38
CTSK P43235 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
SCHEMBL6006134 1.00 TSHR (0.41) TSHRMAPK1RECQLPTGER4GRM2
SCHEMBL6004092 0.76 ALDH1A1 (0.44) TSHRMAPK1RECQLPTGER4GRM2
SCHEMBL6003941 0.76 KMT2A (0.47) TSHRPTGER4GRM2ALDH1A1
SCHEMBL6540812 0.67 MEN1 (0.60) ALDH1A1KDM4E
SCHEMBL7181767 0.67 MEN1 (0.60) ALDH1A1KDM4E
SCHEMBL2769632 0.67 CYP3A4 (0.54) TSHRMAPK1RECQLALDH1A1KDM4E
SCHEMBL6013739 0.67 KDM4E (0.41) TSHRMAPK1RECQLALDH1A1KDM4E
SCHEMBL22459108 0.66 LTA4H (0.47) TSHRMAPK1RECQLALDH1A1KDM4E
SCHEMBL22458699 0.66 LTA4H (0.47) GRM2ALDH1A1KDM4E
SCHEMBL25882147 0.66 TSHR (0.65) TSHR

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 8 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
EP-1014966-A4 PHARMACEUTICAL FOR TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS ALLELIX NEUROSCIENCE INC (US) 2001-10-04 EP 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
EP-1014966-A1 PHARMACEUTICAL FOR TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS Allelix Neuroscience Inc. (US) 2000-07-05 EP disclosed
WO-1997045115-A1 PHARMACEUTICAL FOR TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS TROPHIX PHARMACEUTICALS, INC. (US) 1997-12-04 WO 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 TSHR 2110/4885MAPK1 3422/4885RECQL 1266/4885
US-20010012857-A1 Pharmaceutical for treatment of neurological and neuropsychiatric disorders SLC6A1, SLC18A2, SLC6A11 TSHR 2364/4885MAPK1 1560/4885RECQL 1339/4885

“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.