SCHEMBL22388992

SCHEMBL22388992

CCNP(=O)(CC(C)C)NC(C)C

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
BCHE P06276 1/20 0.36
HIF1A Q16665 1/20 0.36
TRPM8 Q7Z2W7 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
SCHEMBL24872350 0.88 TRPM8 (0.38) TRPM8
SCHEMBL22045458 0.85 ALDH1A1 (0.42) ALDH1A1BCHEHIF1ATRPM8
SCHEMBL22199556 0.77 TRPM8 (0.31) TRPM8
SCHEMBL24245855 0.73 ALDH1A1 (0.40) ALDH1A1BCHEHIF1A
SCHEMBL22199555 0.70 MMP1 (0.35) TRPM8
SCHEMBL24065129 0.69 ALDH1A1 (0.40) ALDH1A1BCHEHIF1ATRPM8
SCHEMBL24067438 0.67 TRPM8 (0.43) ALDH1A1BCHEHIF1ATRPM8
SCHEMBL21787980 0.67 ALDH1A1 (0.39) ALDH1A1BCHEHIF1ATRPM8
SCHEMBL8817046 0.67 ALDH1A1 (0.39) ALDH1A1BCHEHIF1ATRPM8
SCHEMBL6245732 0.66 MMP1 (0.32)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210169896-A1 A CROSS-LINKED PYRROLOBENZODIAZEPINE DIMER (PBD) DERIVATIVE AND ITS CONJUGATES HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-06-10 US disclosed
US-20200276261-A1 A CONJUGATE OF A TUBULYSIN ANALOG WITH BRANCHED LINKERS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2020-09-03 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 (2 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-20210169896-A1 A CROSS-LINKED PYRROLOBENZODIAZEPINE DIMER (PBD) DERIVATIVE AND ITS CONJUGATES PBDC1, BRD2, CD79B ALDH1A1 2260/4885BCHE 1176/4885HIF1A 3188/4885
US-20200276261-A1 A CONJUGATE OF A TUBULYSIN ANALOG WITH BRANCHED LINKERS TEKT1, TEK, BTN3A1 ALDH1A1 4604/4885BCHE 2187/4885HIF1A 3596/4885

“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.