SCHEMBL19607652

SCHEMBL19607652

O=C(OCc1ccccc1)[C@H]1NCc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
FABP7 O15540 1/20 0.43
FABP5 Q01469 1/20 0.43
ALDH1A1 P00352 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
GLA P06280 1/20 0.41
BACE1 P56817 1/20 0.41
HTR2C P28335 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SLC18A2 Q05940 1/20 0.40

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
SCHEMBL19607654 1.00 TSHR (0.44) TSHRFABP7FABP5ALDH1A1NPSR1
Trifluoroacetic Acid SCHEMBL28841794 0.92 KDM1A (0.41) TSHRFABP7FABP5ALDH1A1NPSR1
SCHEMBL29282055 0.82 SLC18A2 (0.43) TSHRNPSR1MAPK1SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL11628428 0.81 KDM4E (0.44) TSHRALDH1A1NPSR1MAPK1SLC6A2
SCHEMBL9222839 0.79 TSHR (0.46) TSHRFABP7FABP5ALDH1A1NPSR1
SCHEMBL29171401 0.78 GLA (0.45) TSHRFABP7FABP5ALDH1A1L3MBTL1
SCHEMBL29171400 0.78 GLA (0.45) TSHRFABP7FABP5ALDH1A1L3MBTL1
SCHEMBL27534958 0.78 HTR2C (0.45) TSHRFABP7FABP5ALDH1A1L3MBTL1
SCHEMBL4143242 0.77 TSHR (0.44) TSHRALDH1A1NPSR1SLC6A2SLC6A3
SCHEMBL26998916 0.77 TSHR (0.44) TSHRALDH1A1NPSR1SLC6A2SLC6A3

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-10398702-B2 Dimeric compounds HOFFMANN-LA ROCHE INC. (US) 2019-09-03 US disclosed
US-20190134050-A1 DIMERIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2019-05-09 US disclosed
WO-2017194390-A1 DIMERIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2017-11-16 WO 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-20190134050-A1 DIMERIC COMPOUNDS BIRC5, BID, BIRC2 TSHR 3115/4885FABP7 584/4885FABP5 139/4885
US-10398702-B2 Dimeric compounds BIRC5, BID, BIRC2 TSHR 3115/4885FABP7 584/4885FABP5 139/4885

“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.