SCHEMBL22018216

SCHEMBL22018216

CC(C)N1CCN(Cc2ccccc2)C(=O)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
POLB P06746 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPK1 P28482 1/20 0.46
P2RX7 Q99572 1/20 0.45
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
BRD4 O60885 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
APOBEC3A P31941 1/20 0.43
RECQL P46063 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
MEN1 O00255 1/20 0.43
KCNH2 Q12809 2/20 0.42
DRD3 P35462 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GRM2 Q14416 1/20 0.41

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
SCHEMBL14600365 0.85 KMT2A (0.55) KMT2APOLBCYP2D6CYP2C9CYP2C19
SCHEMBL11052192 0.84 KMT2A (0.59) KMT2APOLBCYP2D6CYP2C9CYP2C19
SCHEMBL23607688 0.80 KMT2A (0.51) KMT2APOLBCYP2D6CYP2C9CYP2C19
SCHEMBL7454329 0.79 POLB (0.55) KMT2APOLBCYP2D6CYP2C9CYP2C19
SCHEMBL1101970 0.78 KMT2A (0.50) KMT2APOLBCYP2D6CYP2C9CYP2C19
SCHEMBL30948127 0.78 IL4I1 (0.55) MAPK1P2RX7ALDH1A1
SCHEMBL13503952 0.76 L3MBTL1 (0.50) KMT2APOLBCYP2D6CYP2C9CYP2C19
SCHEMBL6140310 0.75 KMT2A (0.50) KMT2APOLBCYP2D6CYP2C9CYP2C19
SCHEMBL11045628 0.75 L3MBTL1 (0.51) KMT2APOLBCYP2D6CYP2C9CYP2C19
SCHEMBL10356045 0.74 ENPP2 (0.46) KMT2ADDB1CRBNL3MBTL1NPSR1

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-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS VenatoRx Pharmaceuticals, Inc. 2021-07-01 US disclosed
US-20200157123-A1 PENICILLIN-BINDING PROTEIN INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-05-21 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-20200157123-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL KMT2A 2536/4885POLB 2001/4885CYP2D6 2325/4885
US-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL KMT2A 2536/4885POLB 2001/4885CYP2D6 2325/4885

“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.