SCHEMBL18588991

SCHEMBL18588991

CNCc1cc(F)ccc1OC(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 16/20 0.59
▸ HTR2A P28223 12/20 0.59
▸ KCNH2 Q12809 12/20 0.56
▸ SLC6A2 P23975 3/20 0.49
▸ SLC6A3 Q01959 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ MPO P05164 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ MCL1 Q07820 1/20 0.39

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
SCHEMBL22957865 0.83 KCNH2 (0.42) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL29746979 0.82 SLC6A4 (0.66) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL3124150 0.82 SLC6A4 (0.66) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL3130662 0.81 MCL1 (0.53) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL15073262 0.81 FFAR4 (0.43) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL22957698 0.81 SLC6A4 (0.56) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL22957885 0.79 SLC6A4 (0.39) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL13361474 0.78 SLC6A4 (0.40) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL15118586 0.78 KCNH2 (0.50) SLC6A4HTR2AKCNH2SLC6A3
SCHEMBL24459258 0.77 MPO (0.41) SLC6A4HTR2AKCNH2SLC6A2SLC6A3

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 6 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20170066773-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK NTRK2, NTRK3, NTRK1 SLC6A4 1221/4885HTR2A 2150/4885KCNH2 3359/4885
US-10017512-B2 Compounds and compositions useful for treating disorders related to NTRK NTRK3, NTRK2, NTRK1 SLC6A4 1715/4885HTR2A 2952/4885KCNH2 3542/4885
US-11046697-B2 Compounds and compositions useful for treating disorders related to NTRK NTRK3, NTRK2, NTRK1 SLC6A4 1715/4885HTR2A 2952/4885KCNH2 3542/4885
US-20190169194-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK NTRK3, NTRK2, NTRK1 SLC6A4 1715/4885HTR2A 2952/4885KCNH2 3542/4885

“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.

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