SCHEMBL29964698

SCHEMBL29964698

CN(C)Cc1cc(Br)ccc1OCC1CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.55
SLC6A4 P31645 5/20 0.48
SLC6A2 P23975 4/20 0.48
SLC6A3 Q01959 3/20 0.48
RIPK1 Q13546 1/20 0.43
NPY1R P25929 2/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
HRH3 Q9Y5N1 1/20 0.39
NPY2R P49146 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
PTGDR2 Q9Y5Y4 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
SCHEMBL27159625 0.90 CCR5 (0.49) CCR5SLC6A4SLC6A2SLC6A3RIPK1
SCHEMBL29914949 0.90 CCR5 (0.49) CCR5SLC6A4SLC6A2SLC6A3RIPK1
SCHEMBL14774644 0.83 RIPK1 (0.43) CCR5SLC6A4RIPK1NPY1RNPY2R
SCHEMBL7669301 0.78 CCR5 (0.57) CCR5RIPK1NPY1RNPY2RKMT2A
SCHEMBL19962876 0.78 ALDH1A1 (0.47) KMT2AMEN1
SCHEMBL129918 0.76 PDE4B (0.49)
SCHEMBL30350487 0.76 PDE4B (0.49)
SCHEMBL15270745 0.76 PTGDR2 (0.42) CCR5RIPK1KMT2AMEN1PTGDR2
SCHEMBL3696560 0.75 SLC6A4 (0.56) CCR5SLC6A4SLC6A2SLC6A3KMT2A
SCHEMBL29888844 0.75 SLC6A4 (0.56) CCR5SLC6A4SLC6A2SLC6A3KMT2A

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-20240343704-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2024-10-17 US disclosed
WO-2022226668-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 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-20240343704-A1 HALO-SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) CMPK1, WNK1, AAK1 CCR5 3103/4885SLC6A4 3317/4885SLC6A2 3144/4885

“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.