SCHEMBL22778666

SCHEMBL22778666

CCNC1CCCC[C@@H]1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.46
ERAP2 Q6P179 1/20 0.46
THRB P10828 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
FUCA1 P04066 1/20 0.33
KDM4E B2RXH2 1/20 0.31
KCNH2 Q12809 1/20 0.31
KAT2B Q92831 1/20 0.30
PIM1 P11309 3/20 0.30

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
SCHEMBL2903994 1.00 ANPEP (0.46) ANPEPERAP2THRBMEN1KMT2A
SCHEMBL15317977 1.00 ANPEP (0.46) ANPEPERAP2THRBMEN1KMT2A
SCHEMBL20363524 1.00 ANPEP (0.46) ANPEPERAP2THRBMEN1KMT2A
SCHEMBL15317976 0.95
SCHEMBL2898816 0.95
SCHEMBL19903768 0.95
SCHEMBL18780235 0.85
SCHEMBL22757590 0.85
SCHEMBL13766461 0.85
SCHEMBL4224636 0.82 ANPEP (0.43) ANPEPERAP2THRBMEN1KMT2A

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-10865216-B2 Tricyclic Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-15 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-10865216-B2 Tricyclic Gyrase inhibitors TOP1, TOP2A, TOP2B ANPEP 1203/4885ERAP2 2283/4885THRB 4368/4885

“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.