SCHEMBL25971506

SCHEMBL25971506

CCC(C)CCN1CCC(O)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.49
SPHK1 Q9NYA1 1/20 0.41
DPP4 P27487 2/20 0.38
SHBG P04278 1/20 0.36
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL6957321 0.82 KCNA3 (0.53) KCNA3SPHK1OPRL1
SCHEMBL22415214 0.81 GNAI3 (0.50) KCNA3SPHK1DPP4HRH3
SCHEMBL26013893 0.80 PDCD1 (0.40) KCNA3SPHK1DPP4HRH3
SCHEMBL18501212 0.80 HTR1A (0.42) DPP4ALDH1A1HRH3
SCHEMBL19622374 0.80 SHBG (0.39) KCNA3SPHK1DPP4SHBGMAPT
SCHEMBL21567185 0.78 KCNA3 (0.50) KCNA3SPHK1DPP4HRH3
SCHEMBL21217047 0.78 KCNA3 (0.39) KCNA3SPHK1DPP4HRH3
SCHEMBL10041869 0.77 CARM1 (0.39) MAPTALDH1A1HRH3
SCHEMBL14734013 0.77 CARM1 (0.37) DPP4
SCHEMBL21779809 0.77 DPP4 (0.41) KCNA3DPP4OPRM1CYP2D6

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-20230257390-A1 COMPOUNDS WHICH INHIBIT RNA POLYMERASE AND THEIR USE LIEBER INSTITUTE, INC. 2023-08-17 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-20230257390-A1 COMPOUNDS WHICH INHIBIT RNA POLYMERASE AND THEIR USE POLR2E, POLR2H, POLRMT KCNA3 3561/4885SPHK1 3413/4885DPP4 1868/4885

“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.