SCHEMBL17705200

SCHEMBL17705200

CN(C)Cc1cc(N)cc(F)c1OC(CF)CF

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 16/20 0.36
SLC6A2 P23975 11/20 0.36
SLC6A3 Q01959 8/20 0.36
HTR2A P28223 2/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
G6PD P11413 1/20 0.33
PABPC1 P11940 1/20 0.33
KMT2A Q03164 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL18892026 0.86
SCHEMBL17705201 0.81 ALOX5AP (0.31)
Hydrochloric Acid SCHEMBL16296597 0.78 GAA (0.35) SLC6A4HTR2AGAA
SCHEMBL17705198 0.77 KDM4E (0.33) SLC6A4SLC6A2SLC6A3HTR2AKDM4E
SCHEMBL16296567 0.76 HTR2A (0.30) HTR2A
SCHEMBL13159521 0.69 ADRA2B (0.44) SLC6A4SLC6A2SLC6A3HTR2AKDM4E
SCHEMBL4525352 0.67 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3HTR2AKDM4E
SCHEMBL16737984 0.65 MEP1B (0.31)
SCHEMBL17705194 0.65 ALOX5AP (0.32)
SCHEMBL18892023 0.64 SCN5A (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9657006-B2 Macrocyclic factor VIIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
US-20160115159-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-04-28 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 (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-20160115159-A1 MACROCYCLIC FACTOR VIIA INHIBITORS F7, F12, F5 SLC6A4 4618/4885SLC6A2 4567/4885SLC6A3 4802/4885

“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.