SCHEMBL29964264

SCHEMBL29964264

CC(C)N1CCC(C)(c2ccc(Cl)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
SLC6A4 P31645 4/20 0.40
SLC6A3 Q01959 4/20 0.40
SLC6A2 P23975 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
EPHX2 P34913 2/20 0.39
CHRNA7 P36544 1/20 0.39
EPHX1 P07099 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
CCR1 P32246 3/20 0.38
PARP1 P09874 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
SCHEMBL20785606 0.83 SLC6A2 (0.55) CYP2D6SLC6A4SLC6A3SLC6A2OPRM1
SCHEMBL20457249 0.83 SLC6A2 (0.55) CYP2D6SLC6A4SLC6A3SLC6A2OPRM1
SCHEMBL17679888 0.75 SLC18A3 (0.37) CYP2D6SLC6A4SLC6A3SLC6A2OPRM1
SCHEMBL5962422 0.75 OPRM1 (0.63) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL15341846 0.73 CCR1 (0.36) SLC6A4SLC6A3SLC6A2CHRNA7CCR1
SCHEMBL13452620 0.73 OPRM1 (0.57) OPRM1OPRD1DRD2DRD4DRD3
SCHEMBL18334113 0.72 CYP2D6 (0.47) CYP2D6OPRM1OPRD1OPRK1OPRL1
SCHEMBL20003974 0.72 SLC6A4 (0.45) CYP2D6SLC6A4SLC6A3SLC6A2OPRM1
SCHEMBL19998529 0.72 CYP2D6 (0.70) CYP2D6OPRM1OPRD1OPRK1OPRL1
SCHEMBL21078015 0.72 DRD2 (0.45) SLC6A4SLC6A3SLC6A2OPRM1EPHX2

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 CYP2D6 2073/4885SLC6A4 3317/4885SLC6A3 2080/4885

“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.