SCHEMBL19634823

SCHEMBL19634823

CN1CCN(CCNC(=O)c2cccc(CNC(=O)C(C)(C)C)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.55
PARP1 P09874 2/20 0.54
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HSD17B10 Q99714 1/20 0.49
BRD4 O60885 1/20 0.49
RAD52 P43351 1/20 0.48
DRD4 P21917 3/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 1/20 0.47
POLB P06746 1/20 0.47
TMEM97 Q5BJF2 1/20 0.46

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
SCHEMBL21015878 0.92 MEN1 (0.55) PARP1CYP2C9CYP2C19POLB
SCHEMBL19634822 0.91 HSD17B10 (0.47) CHRM3PARP1HSD17B10DRD4CYP2C9
SCHEMBL21015879 0.91 MEN1 (0.54) PARP1CYP2C9
SCHEMBL21015957 0.89 CYP2C9 (0.46) CHRM3PARP1HSD17B10DRD4CYP2C9
SCHEMBL19634805 0.89 CYP2C19 (0.62) PARP1CYP2C9CYP2C19POLB
SCHEMBL21015955 0.89 CHRM3 (0.58) CHRM3
SCHEMBL19634745 0.87 PARP1 (0.59) CHRM3PARP1HDAC2HDAC8HDAC6
SCHEMBL21015348 0.86 HDAC6 (0.64) HDAC2HDAC8HDAC6DRD4CYP2C9
SCHEMBL21015218 0.82 LMNA (0.53) PARP1DRD4MAPT
SCHEMBL21016168 0.81 KDM1A (0.53) CHRM3PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3831841-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T Global Inc. (US) 2021-06-09 EP disclosed
US-20190151403-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. 2019-05-23 US disclosed
WO-2017200984-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2017-11-23 WO 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-20190151403-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF MALT1, MYLK2, FKBP1B CHRM3 3753/4885PARP1 4638/4885HDAC2 483/4885

“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.