SCHEMBL4835664

SCHEMBL4835664

CNCc1cc(F)cc(F)c1OC

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
SLC6A4 P31645 13/20 0.41
HTR2A P28223 12/20 0.41
KCNH2 Q12809 11/20 0.40
SLC6A2 P23975 3/20 0.36
SLC6A3 Q01959 2/20 0.36
MCL1 Q07820 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL4835517 0.82 SLC6A2 (0.47) GAASLC6A4HTR2AKCNH2SLC6A2
SCHEMBL4830230 0.82 GAA (0.54) GAASLC6A4HTR2AKCNH2SLC6A2
SCHEMBL24018788 0.81 GAA (0.52) GAASLC6A4HTR2AKCNH2SLC6A2
SCHEMBL18255652 0.80 SLC6A4 (0.43) GAASLC6A4HTR2AKCNH2SLC6A2
SCHEMBL9886154 0.79 PTGS2 (0.42) HTR2AALDH1A1
SCHEMBL22957899 0.78 HTR2A (0.36) SLC6A4HTR2AKCNH2
SCHEMBL22957715 0.78 GAA (0.38) GAASLC6A4HTR2AKCNH2SLC6A2
SCHEMBL3488489 0.77 ALDH1A1 (0.35) GAAHTR2AMAPTALDH1A1
SCHEMBL18606046 0.77 HTR2A (0.41) SLC6A4HTR2ASLC6A2SLC6A3ALDH1A1
SCHEMBL1940273 0.77 MAPT (0.46) HTR2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046697-B2 Compounds and compositions useful for treating disorders related to NTRK BLUEPRINT MEDICINES CORPORATION 2021-06-29 US disclosed
US-20190169194-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK BLUEPRINT MEDICINES CORPORATION 2019-06-06 US disclosed
US-10017512-B2 Compounds and compositions useful for treating disorders related to NTRK BLUEPRINT MEDICINES CORPORATION (US) 2018-07-10 US disclosed
US-10017512-B2 Compounds and compositions useful for treating disorders related to NTRK BLUEPRINT MEDICINES CORPORATION (US) 2018-07-10 US disclosed
US-20170066773-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK BLUEPRINT MEDICINES CORPORATION 2017-03-09 US disclosed
US-20170066773-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK BLUEPRINT MEDICINES CORPORATION 2017-03-09 US disclosed
US-7442692-B2 Indanyl-piperazine compounds LES LABORATOIRES SERVIER (FR) 2008-10-28 US disclosed
WO-2006103342-A9 INDANYL-PIPERAZINE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2007-10-25 WO disclosed
EP-1707564-B1 Indanyl-piperazine derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2007-09-12 EP disclosed
US-20060223830-A1 Indanyl-piperazine compounds LES LABORATOIRES SERVIER (FR) 2006-10-05 US disclosed
WO-2006103342-A2 INDANYL-PIPERAZINE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2006-10-05 WO disclosed
EP-1707564-A2 Indanyl-piperazine derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2006-10-04 EP 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 (5 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-20060223830-A1 Indanyl-piperazine compounds HTR4, NR4A1, NR4A3 GAA 4182/4885SLC6A4 27/4885HTR2A 86/4885
US-20170066773-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK NTRK2, NTRK3, NTRK1 GAA 1097/4885SLC6A4 1221/4885HTR2A 2150/4885
US-10017512-B2 Compounds and compositions useful for treating disorders related to NTRK NTRK3, NTRK2, NTRK1 GAA 1400/4885SLC6A4 1715/4885HTR2A 2952/4885
US-11046697-B2 Compounds and compositions useful for treating disorders related to NTRK NTRK3, NTRK2, NTRK1 GAA 1400/4885SLC6A4 1715/4885HTR2A 2952/4885
US-20190169194-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK NTRK3, NTRK2, NTRK1 GAA 1400/4885SLC6A4 1715/4885HTR2A 2952/4885

“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.