SCHEMBL24920069

SCHEMBL24920069

CCC(C)(C)N1Cc2cccnc2C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
NAMPT P43490 13/20 0.39
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
TIPARP Q7Z3E1 1/20 0.36
KCNQ2 O43526 1/20 0.35
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
KCNH2 Q12809 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8189373 0.84 DPP8 (0.40) DPP8DPP9NAMPTTIPARPKCNQ2
SCHEMBL22652330 0.83 NAMPT (0.40) DPP8DPP9NAMPTDRD2DRD3
SCHEMBL19504753 0.81
SCHEMBL20609581 0.81 RIPK1 (0.41) NAMPTKCNH2TMEM97SIGMAR1NPC1
SCHEMBL9942877 0.75 DPP8 (0.46) DPP8DPP9NAMPTDRD2DRD3
SCHEMBL11921168 0.75 KCNQ2 (0.39) DPP8DPP9NAMPTDRD2DRD3
SCHEMBL171403 0.74 MAOA (0.43) DPP8DPP9NAMPTDRD2DRD3
SCHEMBL13102184 0.72 ALDH1A1 (0.45) DPP8DPP9NAMPTDRD2DRD3
SCHEMBL7772153 0.72 HDAC6 (0.38) DPP8DPP9NAMPTDRD2DRD3
SCHEMBL18599127 0.71 DPP8 (0.46) DPP8DPP9NAMPTDRD2DRD3

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-20230014651-A1 BIPHENYL FLUORINE DOUBLE BOND DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2023-01-19 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-20230014651-A1 BIPHENYL FLUORINE DOUBLE BOND DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF PDCD1, CD274, PDCD1LG2 DPP8 564/4885DPP9 1624/4885NAMPT 1828/4885

“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.