SCHEMBL8000651

SCHEMBL8000651

CCC(CNCCN)N(CC)CC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.36
CA6 P23280 3/20 0.36
CA7 P43166 3/20 0.36
CA9 Q16790 3/20 0.36
CA14 Q9ULX7 3/20 0.36
CA5B Q9Y2D0 3/20 0.36
MEN1 O00255 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CA2 P00918 2/20 0.35
CA3 P07451 2/20 0.35
CA4 P22748 2/20 0.35
CA5A P35218 2/20 0.35
CA1 P00915 1/20 0.35
ALOX15 P16050 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL27901363 0.98 CA12 (0.35) CA12CA6CA7CA9CA14
SCHEMBL11727936 0.96 CA12 (0.42) CA12CA6CA7CA9CA14
Cysteamine SCHEMBL28946444 0.91 CYP2C9 (0.34) CA12CA6CA7CA9CA14
SCHEMBL4901538 0.79 ANPEP (0.38) CA12CA6CA7CA9CA14
SCHEMBL32690867 0.73
SCHEMBL8851061 0.71 DNM1 (0.31) MEN1KMT2ATDP1ALDH1A1
SCHEMBL16752105 0.71
SCHEMBL7738829 0.71 CYP2C9 (0.33) CYP2C9CYP2C19TDP1ANPEP
SCHEMBL8009173 0.71 CYP2C9 (0.36) CA12CA6CA7CA9CA14
SCHEMBL4700884 0.70 ALDH1A1 (0.46) CA12CA6CA7CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260028445-A1 AMINE COMPOSITION USEFUL FOR MAKING STABLE POLYURETHANE FOAM SYSTEMS EVONIK OPERATIONS GMBH (DE) 2026-01-29 US disclosed
US-20220144996-A1 AMINE COMPOSITION USEFUL FOR MAKING STABLE POLYURETHANE FOAM SYSTEMS EVONIK OPERATIONS GMBH (DE) 2022-05-12 US disclosed
CN-1178920-C Process for producing 1,3-dialkyl-2-imidazolidinone 三井化学株式会社 2004-12-08 CN disclosed
CN-1056138-C Process for preparing diurea compounds MITSUI CHEMICALS INC (JP) 2000-09-06 CN disclosed
WO-2000023635-A1 LIQUID COMPOUNDS FOR FORMATION OF MATERIALS CONTAINING ALKALINE EARTH METALS THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-04-27 WO disclosed
CN-1242363-A Process for producing 1,3-dialkyl-2-imidazolidinone MITSUI CHEMICALS INC (JP) 2000-01-26 CN 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-20260028445-A1 AMINE COMPOSITION USEFUL FOR MAKING STABLE POLYURETHANE FOAM SYSTEMS RFC2, RFC3, PUF60 CA12 2584/4885CA6 994/4885CA7 1182/4885

“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.