SCHEMBL18648449

SCHEMBL18648449

COC(=O)c1ccc(OCc2ccccc2)cc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.54
MRGPRX4 Q96LA9 2/20 0.52
ALOX5AP P20292 2/20 0.51
AR P10275 2/20 0.50
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NR1H2 P55055 1/20 0.48
ALDH1A1 P00352 1/20 0.47
PDK1 Q15118 1/20 0.47
PDK2 Q15119 1/20 0.47
PDK3 Q15120 1/20 0.47
PDK4 Q16654 1/20 0.47

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
SCHEMBL1941274 0.88 MAOB (0.57) MAOBMRGPRX4ARMAPTHTT
Hydrochloric Acid SCHEMBL9440550 0.87 MAOB (0.56) MAOBMRGPRX4ARMAPTHTT
SCHEMBL4843195 0.85 L3MBTL1 (0.61) ALOX5APMAPTHTTL3MBTL1LMNA
SCHEMBL4317593 0.85 MAOB (0.51) MAOBMRGPRX4ARMAPTHTT
SCHEMBL9440542 0.84 MAOB (0.53) MAOBMRGPRX4ARMAPTHTT
SCHEMBL27347636 0.84 MRGPRX4 (0.50) MRGPRX4ARLMNAHPGDNPC1
SCHEMBL4125549 0.83 MAOB (0.58) MAOBLMNAHPGDNPC1RAB9A
SCHEMBL3191667 0.83 MAOB (0.58) MAOBL3MBTL1LMNAHPGDNPC1
SCHEMBL176858 0.83 MAOB (0.59) MAOBMRGPRX4LMNAHPGDNPC1
SCHEMBL629952 0.82 MAOB (0.74) MAOBLMNAHPGDNPC1RAB9A

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 3 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

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-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 MAOB 933/4885MRGPRX4 830/4885ALOX5AP 1805/4885

“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.