SCHEMBL23157973

SCHEMBL23157973

CN(C)C(=O)[C@H]1CN(c2ncc(N)cn2)CCN1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ ADRA1B P35368 1/20 0.37
▸ CYP2D6 P10635 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ HDAC1 Q13547 2/20 0.33
▸ EIF2AK4 Q9P2K8 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRL1 P41146 1/20 0.33
▸ ACVR1 Q04771 1/20 0.33
▸ DGAT2 Q96PD7 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.32
▸ AOC3 Q16853 2/20 0.32
▸ PRKCQ Q04759 2/20 0.32
▸ DPP4 P27487 4/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ DPP8 Q6V1X1 1/20 0.32
▸ DPP7 Q9UHL4 1/20 0.32

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
SCHEMBL20553051 0.81 CYP2D6 (0.31) ADRA1DADRA1AADRA1BCYP2D6TSHR
SCHEMBL23157672 0.79 ADRA1D (0.41) ADRA1DADRA1AADRA1BPARP1GPR119
SCHEMBL23157380 0.76 ADRA1D (0.35) ADRA1DADRA1AADRA1BTSHR
SCHEMBL23157692 0.74 SCN9A (0.38) HDAC1PRKCQ
SCHEMBL7010873 0.72 CHRM4 (0.38) EIF2AK4AOC3
SCHEMBL7339407 0.70 ADRB1 (0.51) CYP2D6TSHROPRM1OPRL1
SCHEMBL3316266 0.70 ADRA1D (0.40) ADRA1DADRA1AADRA1BACVR1DPP4
SCHEMBL3668289 0.69 ALDH1A1 (0.59) CYP2D6TSHR
SCHEMBL12260743 0.68 KDM4E (0.51) DPP4KCNH2DPP8DPP7
SCHEMBL2918179 0.68 GLI1 (0.41) DPP4KCNH2

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-20210094975-A1 RAPAMYCIN ANALOGS AS MTOR INHIBITORS Revolution Medicines, Inc. 2021-04-01 — — 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-20210094975-A1 RAPAMYCIN ANALOGS AS MTOR INHIBITORS MTOR, RICTOR, RPTOR ADRA1D 4819/4885ADRA1A 4805/4885ADRA1B 4773/4885

“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.

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