SCHEMBL17832703

SCHEMBL17832703

CCOC(=O)c1cnc(NC2CCN(C)CC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.47
HDAC1 Q13547 2/20 0.47
NOS1 P29475 4/20 0.46
NOS3 P29474 2/20 0.46
DYRK1A Q13627 1/20 0.45
CDK2 P24941 5/20 0.45
CCNA2 P20248 3/20 0.45
CCNA1 P78396 3/20 0.45
CDK1 P06493 3/20 0.44
CDK4 P11802 2/20 0.44
CCND1 P24385 2/20 0.44
LCK P06239 1/20 0.43
MAPK14 Q16539 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL22199287 0.90 HDAC1 (0.45) NOS2HDAC1NOS1NOS3CDK2
SCHEMBL16048538 0.89 HDAC3 (0.49) HDAC1CDK2CDK1CDK4CCND1
SCHEMBL17832692 0.83 P2RY12 (0.49) NOS2HDAC1CDK2CDK1CDK4
SCHEMBL17830863 0.83 HDAC1 (0.44) HDAC1CDK2CDK1CDK4CCND1
SCHEMBL17762744 0.83 MAPT (0.53) NOS2NOS1NOS3CDK2CDK1
SCHEMBL17832701 0.81 HDAC1 (0.55) HDAC1CDK2CCNA2CCNA1CDK1
SCHEMBL20564983 0.80 ENPP2 (0.49)
SCHEMBL30807478 0.80 ENPP2 (0.49)
SCHEMBL12723444 0.80 ACACB (0.40)
SCHEMBL22092814 0.78 PCSK9 (0.43) HDAC1HDAC3HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348389-A1 PIPERIDINE DERIVATIVES AS HDAC1/2 INHIBITORS REGENACY PHARMACEUTICALS LLC (US) 2023-11-02 US disclosed
US-20230348389-A1 PIPERIDINE DERIVATIVES AS HDAC1/2 INHIBITORS REGENACY PHARMACEUTICALS LLC (US) 2023-11-02 US disclosed
US-11702389-B2 Piperidine derivatives as HDAC1/2 inhibitors REGENACY PHARMACEUTICALS, LLC (US) 2023-07-18 US disclosed
US-11702389-B2 Piperidine derivatives as HDAC1/2 inhibitors REGENACY PHARMACEUTICALS, LLC (US) 2023-07-18 US disclosed
US-20210179559-A1 PIPERIDINE DERIVATIVES AS HDAC1/2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2021-06-17 US disclosed
US-10968180-B2 Piperidine derivatives as HDAC1/2 inhibitors REGENACY PHARMACEUTICALS, LLC (US) 2021-04-06 US disclosed
US-10358421-B2 Piperidine derivatives as HDAC1/2 inhibitors REGENACY PHARMACEUTICALS, LLC (US) 2019-07-23 US disclosed
US-10239837-B2 Piperidine derivatives as HDAC1/2 inhibitors REGENACY PHARMACEUTICALS, LLC (US) 2019-03-26 US disclosed
US-20180022702-A1 PIPERIDINE DERIVATIVES AS HDAC1/2 INHIBITORS ACETYLON PHARMACEUTICALS, INC. 2018-01-25 US disclosed
US-9790180-B2 Piperidine derivatives as HDAC1/2 inhibitors REGENACY PHARMACEUTICALS, LLC (US) 2017-10-17 US disclosed
US-20160168093-A1 PIPERIDINE DERIVATIVES AS HDAC1/2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2016-06-16 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 (8 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-20160168093-A1 PIPERIDINE DERIVATIVES AS HDAC1/2 INHIBITORS HDAC1, HDAC2, HDAC10 NOS2 1395/4885HDAC1 1/4885NOS1 2145/4885
US-20210179559-A1 PIPERIDINE DERIVATIVES AS HDAC1/2 INHIBITORS HDAC1, HDAC2, HDAC10 NOS2 1395/4885HDAC1 1/4885NOS1 2145/4885
US-11702389-B2 Piperidine derivatives as HDAC1/2 inhibitors HDAC1, HDAC2, HDAC10 NOS2 1395/4885HDAC1 1/4885NOS1 2145/4885
US-20230348389-A1 PIPERIDINE DERIVATIVES AS HDAC1/2 INHIBITORS HDAC1, HDAC2, HDAC10 NOS2 1395/4885HDAC1 1/4885NOS1 2145/4885
US-10968180-B2 Piperidine derivatives as HDAC1/2 inhibitors HDAC1, HDAC2, HDAC10 NOS2 1395/4885HDAC1 1/4885NOS1 2145/4885
US-10239837-B2 Piperidine derivatives as HDAC1/2 inhibitors HDAC1, HDAC2, HDAC10 NOS2 1395/4885HDAC1 1/4885NOS1 2145/4885
US-10358421-B2 Piperidine derivatives as HDAC1/2 inhibitors HDAC1, HDAC2, HDAC10 NOS2 1395/4885HDAC1 1/4885NOS1 2145/4885
US-20180022702-A1 PIPERIDINE DERIVATIVES AS HDAC1/2 INHIBITORS HDAC1, HDAC2, HDAC10 NOS2 1395/4885HDAC1 1/4885NOS1 2145/4885

“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.