SCHEMBL17609079

SCHEMBL17609079

N#Cc1cc(Cl)nc(Oc2cccc(F)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.49
SLC6A2 P23975 3/20 0.48
SLC6A4 P31645 3/20 0.48
SLC6A3 Q01959 3/20 0.48
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
MAP4K4 O95819 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SLC22A12 Q96S37 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PGGT1B P53609 1/20 0.36

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
SCHEMBL18049170 0.86 GRM5 (0.51) GRM5MAP4K4L3MBTL1KDM4EALDH1A1
SCHEMBL24690169 0.84 GRM5 (0.51) GRM5L3MBTL1KDM4EMAPTHPGD
SCHEMBL30020111 0.84 GRM5 (0.51) GRM5L3MBTL1KDM4EMAPTHPGD
SCHEMBL17608810 0.78 KDM4E (0.48) SLC6A2SLC6A4SLC6A3CNR1CNR2
SCHEMBL17609022 0.77 L3MBTL1 (0.55) SLC6A2SLC6A4SLC6A3CNR1CNR2
SCHEMBL23943606 0.76 GRM5 (0.43) GRM5SLC6A4L3MBTL1KDM4EMAPT
SCHEMBL17608808 0.76 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3MAP4K4
SCHEMBL7071539 0.76 FFAR1 (0.49) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL7071576 0.76 FFAR1 (0.49) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL8773189 0.75 GRM5 (0.47) GRM5L3MBTL1KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9908897-B2 Spirocyclic derivatives CHRONOS THERAPEUTICS LIMITED (GB) 2018-03-06 US disclosed
US-9908897-B2 Spirocyclic derivatives CHRONOS THERAPEUTICS LIMITED (GB) 2018-03-06 US disclosed
US-20170253615-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2017-09-07 US disclosed
US-20170253615-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2017-09-07 US disclosed
US-20170253615-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2017-09-07 US disclosed
EP-3201195-A1 SPIROCYCLIC DERIVATIVES Chronos Therapeutics Limited (GB) 2017-08-09 EP disclosed
WO-2016042452-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2016-03-24 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 (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-20170253615-A1 Spirocyclic derivatives SLC6A3, SLC10A1, ABCB11 GRM5 626/4885SLC6A2 4/4885SLC6A4 17/4885

“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.