SCHEMBL20004196

SCHEMBL20004196

CC(=O)NCC1(c2ccc(Cl)cc2)CCN(C(C)(C)C)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.54
DRD3 P35462 2/20 0.54
DRD4 P21917 1/20 0.54
P2RX7 Q99572 9/20 0.51
MCHR1 Q99705 2/20 0.46
CNR1 P21554 1/20 0.45
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.42
CACNA1I Q9P0X4 1/20 0.42

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
SCHEMBL16565532 0.85 P2RX7 (0.67) DRD2DRD3DRD4P2RX7MCHR1
SCHEMBL28077553 0.84 DRD2 (0.50) DRD2DRD3DRD4P2RX7MCHR1
SCHEMBL21078014 0.84 DRD3 (0.56) DRD2DRD3DRD4P2RX7MCHR1
SCHEMBL16554105 0.82 DRD2 (0.50) DRD2DRD3DRD4P2RX7MCHR1
SCHEMBL21214320 0.82 DRD3 (0.54) DRD2DRD3DRD4P2RX7MCHR1
SCHEMBL20004044 0.81 P2RX7 (0.43) DRD2DRD3DRD4P2RX7MCHR1
SCHEMBL16553797 0.80 EPHX2 (0.41) DRD2DRD3DRD4P2RX7SLC6A2
SCHEMBL17886638 0.79 DRD2 (0.46) DRD2DRD3DRD4P2RX7SLC6A2
SCHEMBL20004195 0.79 OPRM1 (0.41) DRD2P2RX7SLC6A4SLC6A3KCNH2
SCHEMBL16553711 0.79 DRD2 (0.53) DRD2DRD3DRD4P2RX7MCHR1

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-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-03-29 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-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK1, JAK2, JAK3 DRD2 1347/4885DRD3 1418/4885DRD4 2537/4885

“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.