SCHEMBL26324895

SCHEMBL26324895

CCCCN(c1ccc(Cl)cc1)C(C(=O)OC(C)C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PPARG P37231 3/20 0.36
PPARD Q03181 3/20 0.36
PPARA Q07869 3/20 0.36
CNR2 P34972 2/20 0.36
GAA P10253 1/20 0.35
KCNH2 Q12809 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
EGFR P00533 1/20 0.33

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
SCHEMBL26324897 0.88 RAB9A (0.34) MEN1KMT2APPARGPPARDPPARA
SCHEMBL26324890 0.87 ALDH1A1 (0.39) MEN1KMT2ACNR2GAASMN1; SMN2
SCHEMBL20564580 0.87 CHRNB2 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4MEN1
SCHEMBL26324915 0.81 HDAC3 (0.38) PPARGPPARAGAASMN1; SMN2CCKBR
SCHEMBL26324900 0.80 SMN1; SMN2 (0.38) MEN1KMT2APPARGPPARDPPARA
SCHEMBL26324906 0.79 PPARG (0.34) PPARGPPARDPPARACYP1A2CYP2C19
SCHEMBL26324997 0.78 MEN1 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4MEN1
SCHEMBL26324909 0.78 PPARG (0.31) PPARGPPARDPPARA
SCHEMBL6555981 0.77 CNR2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4KMT2A
SCHEMBL6555980 0.77 CNR2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4KMT2A

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-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents WILLIAM MARSH RICE UNIVERSITY (US) 2023-09-26 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-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents PNMT, NCL, NPM1 CHRNB2 1465/4885CHRNB4 1958/4885CHRNA3 1600/4885

“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.