SCHEMBL556570

SCHEMBL556570

Clc1cc(Br)ccc1[C@@H]1CNCC[C@H]1c1cccc2[nH]cnc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.32
HTR6 P50406 1/20 0.32
PKM P14618 1/20 0.32
EGFR P00533 2/20 0.32
CCKBR P32239 1/20 0.32
REN P00797 2/20 0.31
KCNH2 Q12809 2/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PRNP P04156 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 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
SCHEMBL556568 1.00 SLC6A4 (0.32) SLC6A4HTR6PKMEGFRCCKBR
SCHEMBL556569 1.00 SLC6A4 (0.32) SLC6A4HTR6PKMEGFRCCKBR
SCHEMBL534280 0.74 IDO1 (0.37) PKMCCKBRMEN1KMT2A
SCHEMBL534281 0.74 IDO1 (0.37) PKMCCKBRMEN1KMT2A
SCHEMBL534279 0.74 IDO1 (0.37) PKMCCKBRMEN1KMT2A
SCHEMBL533991 0.72 REN (0.54) RENKCNH2MEN1HTTKMT2A
SCHEMBL22619214 0.72 PARP1 (0.43) HTR2C
SCHEMBL534504 0.70 REN (0.36) SLC6A4HTR6RENKCNH2HTR2C
SCHEMBL534505 0.70 REN (0.36) SLC6A4HTR6RENKCNH2HTR2C
SCHEMBL534503 0.70 REN (0.36) SLC6A4HTR6RENKCNH2HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 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 (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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 SLC6A4 2645/4885HTR6 3437/4885PKM 2635/4885

“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.