SCHEMBL20004044

SCHEMBL20004044

COC(=O)CNCC1(c2ccc(Cl)cc2)CCN(C(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.43
DRD2 P14416 6/20 0.41
MCHR1 Q99705 2/20 0.40
SLC6A4 P31645 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
OPRM1 P35372 2/20 0.39
OPRL1 P41146 1/20 0.39
ALDH1A1 P00352 1/20 0.38
DRD4 P21917 2/20 0.38
KCNH2 Q12809 2/20 0.38
DRD3 P35462 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
CCR1 P32246 1/20 0.37
CNR1 P21554 1/20 0.37
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
HRH2 P25021 1/20 0.36
ADRA1A P35348 1/20 0.36

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
SCHEMBL19998536 0.89 MCHR1 (0.43) P2RX7MCHR1OPRM1KCNH2
SCHEMBL20004196 0.81 DRD2 (0.54) P2RX7DRD2MCHR1SLC6A4SLC6A2
SCHEMBL17886625 0.77 OPRM1 (0.48) P2RX7DRD2OPRM1ALDH1A1CCR1
SCHEMBL17886622 0.76 SLC6A4 (0.41) DRD2SLC6A4SLC6A2SLC6A3OPRM1
SCHEMBL17886638 0.76 DRD2 (0.46) P2RX7DRD2SLC6A4SLC6A2SLC6A3
SCHEMBL20004195 0.75 OPRM1 (0.41) P2RX7DRD2SLC6A4SLC6A3OPRM1
SCHEMBL16554044 0.75 KCNH2 (0.40) P2RX7DRD2SLC6A4SLC6A2SLC6A3
SCHEMBL16553797 0.73 EPHX2 (0.41) P2RX7DRD2SLC6A4SLC6A2SLC6A3
SCHEMBL12346684 0.73 SLC6A3 (0.58) SLC6A4SLC6A2SLC6A3OPRM1KCNH2
SCHEMBL8229096 0.73 MEN1 (0.48) SLC6A4ALDH1A1CNR1

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 P2RX7 652/4885DRD2 1347/4885MCHR1 1784/4885

“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.