SCHEMBL17608939

SCHEMBL17608939

N#Cc1cccc(Oc2cc(C(F)(F)F)nc(Cl)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
KDM4E B2RXH2 3/20 0.47
LMNA P02545 2/20 0.47
MAP4K4 O95819 1/20 0.43
LOXL2 Q9Y4K0 6/20 0.43
LOX P28300 3/20 0.43
EPAS1 Q99814 3/20 0.42
BLM P54132 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
CYP1A2 P05177 3/20 0.40
CYP2C9 P11712 2/20 0.40
AR P10275 1/20 0.40
CYP2C19 P33261 2/20 0.39
ATM Q13315 1/20 0.39
VEGFA P15692 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38

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
SCHEMBL17624259 0.85 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3KDM4ELMNA
SCHEMBL19317575 0.81 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3KDM4ELMNA
SCHEMBL17606611 0.81 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3
SCHEMBL17608818 0.81 BLM (0.58) SLC6A2SLC6A4SLC6A3KDM4ELMNA
SCHEMBL17608978 0.80 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3KDM4ELMNA
SCHEMBL7071680 0.75 GRM5 (0.40) MAP4K4EPAS1AR
SCHEMBL6579300 0.74 MAP4K4 (0.62) SLC6A2SLC6A4SLC6A3MAP4K4AR
SCHEMBL17609003 0.74 ATM (0.59) SLC6A2SLC6A4SLC6A3KDM4ELMNA
SCHEMBL18050132 0.73 LOXL2 (0.53) SLC6A2SLC6A4SLC6A3KDM4ELMNA
SCHEMBL6576385 0.73 F10 (0.64) SLC6A2SLC6A4SLC6A3MAP4K4EPAS1

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 SLC6A2 4/4885SLC6A4 17/4885SLC6A3 1/4885

“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.