SCHEMBL22053372

SCHEMBL22053372

N[C@@H](CCCl)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.48
SCN4A P35499 2/20 0.43
SLC6A4 P31645 2/20 0.41
IDO1 P14902 2/20 0.40
TDO2 P48775 2/20 0.40
SLC6A3 Q01959 2/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
HIF1A Q16665 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
SLC6A2 P23975 1/20 0.39
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 3/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL1534396 0.84 SLC6A4 (0.50) ADRB2SCN4ASLC6A4IDO1TDO2
SCHEMBL16649759 0.84 SLC6A4 (0.50) ADRB2SCN4ASLC6A4IDO1TDO2
SCHEMBL27904943 0.81 ADRB2 (0.52) ADRB2SCN4ASLC6A4IDO1TDO2
SCHEMBL14142191 0.81 ADRB2 (0.52) ADRB2SCN4ASLC6A4IDO1TDO2
SCHEMBL27904852 0.81 ADRB2 (0.52) ADRB2SCN4ASLC6A4IDO1TDO2
SCHEMBL390400 0.80 ADRB2 (0.46) ADRB2SCN4ASLC6A4IDO1TDO2
SCHEMBL9198692 0.80 ADRB2 (0.52) ADRB2SCN4ASLC6A4IDO1TDO2
SCHEMBL391358 0.80 ADRB2 (0.46) ADRB2SCN4ASLC6A4IDO1TDO2
SCHEMBL16649881 0.80 ADRB2 (0.46) ADRB2SCN4ASLC6A4IDO1TDO2
SCHEMBL14528139 0.79 SCN4A (0.47) SCN4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10807980-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma VITAE PHARMACEUTICALS, LLC (US) 2020-10-20 US disclosed
US-20200172535-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2020-06-04 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 (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-20200172535-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA ADRB2 133/4885SCN4A 404/4885SLC6A4 4687/4885
US-10807980-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma RORC, RORB, RORA ADRB2 133/4885SCN4A 404/4885SLC6A4 4687/4885

“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.