SCHEMBL16628455

SCHEMBL16628455

O=C(O)C=C1c2cc(F)ccc2NCCC1(F)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.34
CDK2 P24941 1/20 0.34
KIF11 P52732 1/20 0.34
TGM2 P21980 1/20 0.34
FLT3 P36888 4/20 0.34
PARP1 P09874 1/20 0.33
PARP10 Q53GL7 1/20 0.33
TRPA1 O75762 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
DPP4 P27487 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4C Q9H3R0 1/20 0.31

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
SCHEMBL16628454 1.00 ALK (0.34) ALKCDK2KIF11TGM2FLT3
SCHEMBL16723442 0.85 CCNT1 (0.36) ALKCDK2KIF11TGM2FLT3
SCHEMBL3557118 0.82 AVPR2 (0.35) TGM2ALDH1A1MEN1KMT2A
SCHEMBL3557117 0.82 AVPR2 (0.35) TGM2ALDH1A1MEN1KMT2A
SCHEMBL16639237 0.72 TRPA1 (0.38) TRPA1ALDH1A1CYP1A2CYP3A4DPP4
SCHEMBL16639238 0.72 TRPA1 (0.40) TRPA1CDK9
SCHEMBL14590035 0.70 TGM2 (0.44) KIF11TGM2TRPA1ALDH1A1
SCHEMBL7679739 0.64 POLB (0.40) ALDH1A1MEN1KMT2A
SCHEMBL11149678 0.62 MEN1 (0.58) CDK2FLT3PARP1PARP10ALDH1A1
SCHEMBL6552805 0.62 MEN1 (0.36) MEN1KMT2A

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-9951022-B2 Method for producing 4,4,7-trifluoro-1,2,3,4-tetrahydro-5H-1-benzazepine compound and intermediate used in the method TACURION (US) 2018-04-24 US disclosed
EP-2860175-B1 METHOD FOR PRODUCING 4,4,7-TRIFLUORO-1,2,3,4-TETRAHYDRO-5H-1-BENZAZEPINE COMPOUND AND INTERMEDIATE FOR SYNTHESIS THEREOF TACURION (US) 2017-11-29 EP disclosed
US-20170158639-A1 METHOD FOR PRODUCING 4,4,7-TRIFLUORO-1,2,3,4-TATRAHYDRO-5H-1-BENZAZEPINE COMPOUND AND INTERMEDIATE USED IN THE METHOD TACURION (US) 2017-06-08 US disclosed
US-9598373-B2 Method for producing 4,4,7-trifluoro-1,2,3,4-tetrahydro-5H-1-benzazepine compound and intermediate used in the method TACURION (US) 2017-03-21 US disclosed
US-20150141641-A1 METHOD FOR PRODUCING 4,4,7-TRIFLUORO-1,2,3,4-TETRAHYDRO-5H-1-BENZAZEPINE COMPOUND AND INTERMEDIATE USED IN THE METHOD ASTELLAS PHARMA INC. (JP) 2015-05-21 US disclosed
EP-2860175-A1 METHOD FOR PRODUCING 4,4,7-TRIFLUORO-1,2,3,4-TETRAHYDRO-5H-1-BENZAZEPINE COMPOUND AND INTERMEDIATE FOR SYNTHESIS THEREOF Astellas Pharma Inc. (JP) 2015-04-15 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 (2 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-20150141641-A1 METHOD FOR PRODUCING 4,4,7-TRIFLUORO-1,2,3,4-TETRAHYDRO-5H-1-BENZAZEPINE COMPOUND AND INTERMEDIATE USED IN THE METHOD AVPR2, AVPR1A, AVPR1B ALK 1578/4885CDK2 2085/4885KIF11 4368/4885
US-20170158639-A1 METHOD FOR PRODUCING 4,4,7-TRIFLUORO-1,2,3,4-TATRAHYDRO-5H-1-BENZAZEPINE COMPOUND AND INTERMEDIATE USED IN THE METHOD AVPR2, AVPR1A, AVPR1B ALK 1778/4885CDK2 2291/4885KIF11 4365/4885

“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.