SCHEMBL21116672

SCHEMBL21116672

CC(C)CCN(C)CCN(C)CCN(C)CCN

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
PRMT8 Q9NR22 1/20 0.34
ALDH1A1 P00352 1/20 0.33
PIK3CD O00329 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
SCHEMBL21116673 1.00 CHRM2 (0.39) CHRM2CA12CA2CA3CA4
SCHEMBL11565528 0.97 CHRM2 (0.40) CHRM2CA12CA2CA3CA4
SCHEMBL29580442 0.87 CA12 (0.44) CA12CA2CA3CA4CA6
SCHEMBL29580486 0.87 CA12 (0.44) CA12CA2CA3CA4CA6
SCHEMBL15865606 0.87 CA12 (0.44) CA12CA2CA3CA4CA6
SCHEMBL3410639 0.84 ALDH1A1 (0.42) CHRM2CA12CA2CA3CA4
SCHEMBL20755899 0.83 CHRM2 (0.48) CHRM2CARM1PRMT6PRMT8PIK3CD
SCHEMBL12589253 0.83 CHRM2 (0.54) CHRM2ALDH1A1PIK3CD
SCHEMBL1262347 0.81 CHRM2 (0.53) CHRM2CA12CA2CA3CA4
SCHEMBL31034365 0.81 CHRM2 (0.53) CHRM2CA12CA2CA3CA4

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-20190194390-A1 AMINO-POLYESTERS FOR DRUG DELIVERY MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2019-06-27 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-20190194390-A1 AMINO-POLYESTERS FOR DRUG DELIVERY DNPEP, NPEPPS, ANPEP CHRM2 4215/4885CA12 1442/4885CA2 2821/4885

“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.