SCHEMBL23101730

SCHEMBL23101730

CN1C[C@H]2CCC[C@@H](C1)N2C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.36
HSD11B1 P28845 1/20 0.35
CHRM4 P08173 2/20 0.32
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRNB2 P17787 1/20 0.32
HRH1 P35367 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
HTR3A P46098 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
CHRM2 P08172 1/20 0.31

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
SCHEMBL272828 1.00 MAPK1 (0.48) MAPK1LMNACYP2C9HSD11B1CHRM4
SCHEMBL16603050 0.88 LMNA (0.46) MAPK1LMNACYP2C9HSD11B1CHRM2
SCHEMBL17057298 0.88 LMNA (0.46) MAPK1LMNACYP2C9HSD11B1CHRM2
SCHEMBL12398381 0.88 LMNA (0.46) MAPK1LMNACYP2C9HSD11B1CHRM2
SCHEMBL278109 0.88 LMNA (0.46) MAPK1LMNACYP2C9HSD11B1CHRM2
SCHEMBL20038593 0.85 MAPK1 (0.41) MAPK1LMNACYP2C9HSD11B1CHRM4
SCHEMBL410993 0.81 MAPK1 (0.57) MAPK1LMNACYP2C9CHRM4CHRNB4
SCHEMBL14320158 0.81 MAPK1 (0.57) MAPK1LMNACYP2C9CHRM4CHRNB4
SCHEMBL13791826 0.79 MAPK1 (0.37) MAPK1
SCHEMBL13803162 0.78 MAPK1 (0.34) MAPK1

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-20210078958-A1 QUINAZOLINE DERIVATIVE AND USE THEREOF MEDSHINE DISCOVERY INC. (CN) 2021-03-18 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-20210078958-A1 QUINAZOLINE DERIVATIVE AND USE THEREOF ABL1, ERBB2, FLT3 MAPK1 183/4885LMNA 4251/4885CYP2C9 129/4885

“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.