SCHEMBL5328689

SCHEMBL5328689

O=C(N1CCc2ccc(CCl)cc2CC1)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.55
ESR2 Q92731 7/20 0.55
HDAC6 Q9UBN7 2/20 0.42
PKM P14618 1/20 0.40
ABHD6 Q9BV23 4/20 0.39
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
HSD11B1 P28845 1/20 0.35
ACACB O00763 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 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
SCHEMBL1367276 0.89 ESR1 (0.52) ESR1ESR2HDAC6PKMABHD6
SCHEMBL2221902 0.86 ESR1 (0.55) ESR1ESR2HDAC6PKMABHD6
Hydrochloric Acid SCHEMBL1792810 0.84 ESR1 (0.53) ESR1ESR2HDAC6PKMABHD6
SCHEMBL1364723 0.83 ESR1 (0.52) ESR1ESR2HDAC6PKMABHD6
SCHEMBL3284914 0.82 ESR1 (0.51) ESR1ESR2HDAC6PKMABHD6
SCHEMBL1789769 0.81 ESR1 (0.50) ESR1ESR2HDAC6PKMMEN1
SCHEMBL2585109 0.81 ESR1 (0.62) ESR1ESR2HDAC6PKMABHD6
SCHEMBL1366408 0.81 ESR1 (0.52) ESR1ESR2HDAC6PKMHDAC8
SCHEMBL2364766 0.80 ESR2 (0.52) ESR1ESR2HDAC6PKMABHD6
SCHEMBL8373032 0.79 ESR1 (0.61) ESR1ESR2HDAC6PKMABHD6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007149728-A2 ARYL AND HETEROARYL TETRAHYDROBENZAZEPINE DERIVATIVES AND THEIR USE FOR TREATING GLAUCOMA ALCON RESEARCH, LTD. (US) 2007-12-27 WO disclosed
WO-2007149728-A2 ARYL AND HETEROARYL TETRAHYDROBENZAZEPINE DERIVATIVES AND THEIR USE FOR TREATING GLAUCOMA ALCON RESEARCH, LTD. (US) 2007-12-27 WO disclosed
US-20070293475-A1 ARYL AND HETEROARYL TETRAHYDROBENZAZEPINE DERIVATIVES AND THEIR USE FOR TREATING GLAUCOMA ALCON MANUFACTURING LTD. (US) 2007-12-20 US disclosed
US-20070293475-A1 ARYL AND HETEROARYL TETRAHYDROBENZAZEPINE DERIVATIVES AND THEIR USE FOR TREATING GLAUCOMA ALCON MANUFACTURING LTD. (US) 2007-12-20 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-20070293475-A1 ARYL AND HETEROARYL TETRAHYDROBENZAZEPINE DERIVATIVES AND THEIR USE FOR TREATING GLAUCOMA HTR2B, HTR2A, HTR3B ESR1 3694/4885ESR2 667/4885HDAC6 1505/4885

“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.