SCHEMBL7787350

SCHEMBL7787350

CC(=O)c1ccc(C)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
P2RX1 P51575 1/20 0.42
TMPRSS4 Q9NRS4 1/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX12 P18054 1/20 0.42
KMT2A Q03164 2/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
KIF11 P52732 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL28471721 0.86 CES2 (0.48) CES2SMN1; SMN2TP53MAPTRAB9A
SCHEMBL107636 0.86 CSNK2A1 (0.52) CES2SMN1; SMN2TP53MAPTRAB9A
SCHEMBL18354210 0.85 CES2 (0.47) CES2SMN1; SMN2TP53MAPTRAB9A
SCHEMBL4620600 0.83 CES2 (0.46) CES2SMN1; SMN2TP53MAPTRAB9A
SCHEMBL108796 0.83 SMN1; SMN2 (0.47) CES2SMN1; SMN2TP53MAPTRAB9A
SCHEMBL26020411 0.81 CES2 (0.49) CES2SMN1; SMN2TP53MAPTRAB9A
SCHEMBL22728372 0.81 PDE3B (0.44) CES2SMN1; SMN2TP53MAPTRAB9A
SCHEMBL30481870 0.81 CES2 (0.72) CES2MAPTALDH1A1HTTKDM4E
SCHEMBL31252817 0.81 ESRRG (0.48) CES2MAPTP2RX1ALDH1A1KMT2A
SCHEMBL31138870 0.81 KIF11 (0.51) CES2MAPTRAB9AKMT2AHTT

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 10 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
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
US-8299055-B2 8-substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-10-30 US disclosed
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-10-14 US disclosed
WO-2010038465-A1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF 旭化成ファーマ株式会社 (JP) 2010-04-08 WO disclosed
EP-0735142-B1 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICALS CO LTD (JP) 2001-10-24 EP disclosed
US-5717116-A TREATING A MIXTURE OF PHENYLHALOGENOMETHYLCARBINOLS WITH A LIPASE IN THE PRESENCE OF A CARBOXYLATE FOLLOWED BY CYCLIZATION WITH A BASE SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) 1998-02-10 US disclosed
EP-0735142-A2 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICAL COMPANY, LTD. (JP) 1996-10-02 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 (3 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 CES2 3104/4885SMN1; SMN2 2727/4885TP53 4354/4885
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 CES2 2153/4885SMN1; SMN2 2939/4885TP53 4155/4885
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof RELA, NFKBIA, NFKB2 CES2 3530/4885SMN1; SMN2 3014/4885TP53 446/4885

“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.