SCHEMBL17865282

SCHEMBL17865282

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DGAT1 O75907 1/20 0.38
BCL2 P10415 1/20 0.38
PTGES O14684 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
MAP2K1 Q02750 1/20 0.37
MAPT P10636 2/20 0.37
S1PR4 O95977 1/20 0.37
LMNA P02545 1/20 0.37
S1PR1 P21453 1/20 0.37
KAT6A Q92794 1/20 0.37

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
SCHEMBL17847411 0.85 ALDH1A1 (0.40) ALOX5MEN1KMT2AALDH1A1DGAT1
SCHEMBL30973037 0.83 NPSR1 (0.41) ALOX5MEN1KMT2AALDH1A1MAPK1
Hydrochloric Acid SCHEMBL31089017 0.82 NPSR1 (0.40) ALOX5MEN1KMT2AALDH1A1MAPK1
SCHEMBL4930943 0.81 AAK1 (0.40) DGAT1
SCHEMBL15994532 0.78 PIN1 (0.42) MEN1KMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL31059194 0.78 PIN1 (0.42) MEN1KMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL17847415 0.78 DGAT1 (0.44) MEN1KMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL21834354 0.77 NPSR1 (0.41) ALOX5MEN1KMT2AALDH1A1MAPK1
Hydrochloric Acid SCHEMBL5967467 0.77 PIN1 (0.45) MEN1KMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL20811537 0.76 CYP1A2 (0.41) MEN1KMT2AALDH1A1CYP1A2CYP2C19

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
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-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
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
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 (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-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 ALOX5 688/4885MEN1 1768/4885KMT2A 3696/4885

“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.