SCHEMBL17847411

SCHEMBL17847411

COC(=O)C(N)c1cc(Br)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
DGAT1 O75907 1/20 0.40
APLNR P35414 2/20 0.40
LMNA P02545 4/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
BCL2 P10415 1/20 0.36
MAP2K1 Q02750 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 2/20 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
SCHEMBL17865282 0.85 ALOX5 (0.40) ALDH1A1L3MBTL1DGAT1LMNANPSR1
SCHEMBL4930943 0.84 AAK1 (0.40) DGAT1APLNR
SCHEMBL21096066 0.83 ALDH1A1 (0.41) ALDH1A1L3MBTL1DGAT1APLNRLMNA
SCHEMBL31266265 0.83 ALDH1A1 (0.41) ALDH1A1L3MBTL1DGAT1APLNRLMNA
SCHEMBL17847415 0.80 DGAT1 (0.44) ALDH1A1DGAT1APLNRLMNANPC1
SCHEMBL24036692 0.78 GAA (0.38) ALDH1A1L3MBTL1DGAT1APLNRLMNA
SCHEMBL15670602 0.77 KMT2A (0.47) ALDH1A1LMNAKMT2AGAAMEN1
SCHEMBL15670601 0.77 KMT2A (0.47) ALDH1A1LMNAKMT2AGAAMEN1
SCHEMBL31512226 0.77 SLC6A3 (0.42) ALDH1A1L3MBTL1
SCHEMBL31512227 0.77 SLC6A3 (0.42) ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233834-B1 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE AND 3,4-DIHYDRO-2H-PYRROL-5-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE JANSSEN PHARMACEUTICA NV (BE) 2019-11-13 EP disclosed
US-10106524-B2 2,3,4,5-tetrahydropyridin-6-amine and 3,4-dihydro-2H-pyrrol-5-amine compound inhibitors of beta-secretase JANSSEN PHARMACEUTICA NV (BE) 2018-10-23 US disclosed
US-20170362198-A1 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE AND 3,4-DIHYDRO-2H-PYRROL-5-AMINE COMPOUND INHIBITORS OF BETA-SECRETASE JANSSEN PHARMACEUTICA NV (BE) 2017-12-21 US disclosed
EP-3233834-A1 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE AND 3,4-DIHYDRO-2H-PYRROL-5-AMINE COMPOUND INHIBITORS OF BETA-SECRETASE Janssen Pharmaceutica, N.V. (BE) 2017-10-25 EP disclosed
WO-2016096979-A1 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE AND 3,4-DIHYDRO-2H-PYRROL-5-AMINE COMPOUND INHIBITORS OF BETA-SECRETASE JANSSEN PHARMACEUTICA NV (BE) 2016-06-23 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-20170362198-A1 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE AND 3,4-DIHYDRO-2H-PYRROL-5-AMINE COMPOUND INHIBITORS OF BETA-SECRETASE BACE1, BACE2, APP ALDH1A1 1988/4885L3MBTL1 2869/4885DGAT1 1576/4885
US-10106524-B2 2,3,4,5-tetrahydropyridin-6-amine and 3,4-dihydro-2H-pyrrol-5-amine compound inhibitors of beta-secretase BACE1, BACE2, APP ALDH1A1 1988/4885L3MBTL1 2869/4885DGAT1 1576/4885

“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.