SCHEMBL17004584

SCHEMBL17004584

C[C@](N)(CCO)c1cc(Br)ccc1F

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP28 Q96RU2 1/20 0.34
USP25 Q9UHP3 1/20 0.34
DGAT1 O75907 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
PTPN7 P35236 1/20 0.33
DUSP3 P51452 1/20 0.33
MAP2K1 Q02750 2/20 0.31
KDM1A O60341 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL17004586 1.00 USP28 (0.34) USP28USP25DGAT1PTGDR2PTPN7
SCHEMBL1173372 0.88 DGAT1 (0.37) USP28USP25DGAT1PTGDR2PTPN7
SCHEMBL1173257 0.88 DGAT1 (0.37) USP28USP25DGAT1PTGDR2PTPN7
SCHEMBL247850 0.88 DGAT1 (0.37) USP28USP25DGAT1PTGDR2PTPN7
Hydrochloric Acid SCHEMBL16462425 0.87 DGAT1 (0.36) USP28USP25DGAT1PTGDR2PTPN7
SCHEMBL3171484 0.81 PTGDR2 (0.33) DGAT1PTGDR2PTPN7DUSP3KDM1A
SCHEMBL17004543 0.81 ALDH1A1 (0.35) PTGDR2CYP1A2
SCHEMBL17004542 0.81 ALDH1A1 (0.35) PTGDR2CYP1A2
SCHEMBL2585458 0.81 DGAT1 (0.38) USP28USP25DGAT1PTGDR2PTPN7
SCHEMBL2585455 0.81 DGAT1 (0.38) USP28USP25DGAT1PTGDR2PTPN7

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-3353163-B1 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2020-02-05 EP disclosed
US-20180334447-A1 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2018-11-22 US disclosed
EP-3353163-A1 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE DERIVATIVES Janssen Pharmaceutica, N.V. (BE) 2018-08-01 EP disclosed
WO-2017050978-A1 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-03-30 WO disclosed
EP-2297120-B1 AMINODIHYDROTHIAZINE DERIVATIVES AS BACE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE LILLY CO ELI (US) 2015-08-19 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 (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-20180334447-A1 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE DERIVATIVES BACE1, BACE2, APP USP28 1822/4885USP25 1691/4885DGAT1 2040/4885

“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.