SCHEMBL16628529

SCHEMBL16628529

C1CCC(NC2CCCCC2)CC1.Cc1ccc(S(=O)(=O)N2CCC(F)(F)/C(=C\C(=O)O)c3cc(F)ccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
MAPT P10636 4/20 0.39
TP53 P04637 3/20 0.39
EPHX2 P34913 3/20 0.38
ALDH1A1 P00352 3/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMO O15229 1/20 0.36
RORC P51449 2/20 0.35
GLA P06280 1/20 0.35
NR1I2 O75469 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL16628531 1.00 LMNA (0.39) LMNAMAPTTP53EPHX2ALDH1A1
SCHEMBL16639239 0.91 MAPT (0.41) LMNAMAPTTP53ALDH1A1SMN1; SMN2
SCHEMBL18926571 0.91 MAPT (0.41) LMNAMAPTTP53ALDH1A1SMN1; SMN2
SCHEMBL16628530 0.82 ALDH1A1 (0.37) LMNAMAPTTP53ALDH1A1CNR1
SCHEMBL7678157 0.78 KCNN4 (0.46) LMNAMAPTTP53ALDH1A1KMT2A
SCHEMBL7678153 0.78 KCNN4 (0.46) LMNAMAPTTP53ALDH1A1KMT2A
SCHEMBL16628365 0.74 LMNA (0.46) LMNAMAPTTP53KMT2AMEN1
SCHEMBL18644411 0.69 LMNA (0.45) LMNAMAPTTP53ALDH1A1KMT2A
SCHEMBL16639237 0.69 TRPA1 (0.38) ALDH1A1CNR2
SCHEMBL18934299 0.68 PTGDR2 (0.44) LMNAMAPTTP53ALDH1A1KMT2A

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 LMNA 2939/4885MAPT 3439/4885TP53 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 LMNA 3243/4885MAPT 2061/4885TP53 4155/4885

“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.