SCHEMBL12257331

SCHEMBL12257331

CN1CCOC(CNC(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ACKR3 P25106 2/20 0.38
HRH3 Q9Y5N1 1/20 0.35
SLC6A2 P23975 1/20 0.35
CACNA1H O95180 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
PDE10A Q9Y233 1/20 0.33
MAPK1 P28482 2/20 0.31
CYP11B2 P19099 1/20 0.31

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
SCHEMBL24171103 1.00 HDAC1 (0.39) HDAC1HDAC8HDAC6ACKR3HRH3
SCHEMBL24171110 1.00 HDAC1 (0.39) HDAC1HDAC8HDAC6ACKR3HRH3
SCHEMBL24171001 0.83 HRH3 (0.34) HDAC1HDAC8HDAC6ACKR3HRH3
SCHEMBL24171113 0.83 HRH3 (0.34) HDAC1HDAC8HDAC6ACKR3HRH3
SCHEMBL23710203 0.83 HRH3 (0.34) HDAC1HDAC8HDAC6ACKR3HRH3
SCHEMBL24171012 0.80 HRH3 (0.33) HDAC1HDAC8HDAC6ACKR3HRH3
SCHEMBL24171579 0.80 HRH3 (0.33) HDAC1HDAC8HDAC6ACKR3HRH3
SCHEMBL24171580 0.80 HRH3 (0.33) HDAC1HDAC8HDAC6ACKR3HRH3
SCHEMBL23710151 0.79 ACKR3 (0.40) HDAC1HDAC8HDAC6ACKR3HRH3
SCHEMBL22236810 0.79 ACKR3 (0.40) HDAC1HDAC8HDAC6ACKR3HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159522-A1 BCL-2 INHIBITOR BEONE MEDICINES I GMBH (CH) 2023-05-25 US disclosed
US-20230002369-A1 Bcl-2 INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-01-05 US disclosed
US-20220402915-A1 BCL-2 INHIBITORS BEONE MEDICINES I GMBH (CH) 2022-12-22 US disclosed
US-20220002290-A1 TRIFLUOROMETHYL-SUBSTITUTED SULFONAMIDE AS BCL-2-SELECTIVE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-01-06 US disclosed
EP-3858832-A1 TRIFLUOROMETHYL-SUBSTITUTED SULFONAMIDE AS BCL-2-SELECTIVE INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2021-08-04 EP disclosed
US-8754079-B2 Cycloalkyl containing thienopyrimidines for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 US disclosed
US-8754079-B2 Cycloalkyl containing thienopyrimidines for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 US disclosed
US-20110217311-A1 CYCLOALKYL CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-08 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 (5 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-20220402915-A1 BCL-2 INHIBITORS BCL2, BCL2L1, BCL2L2 HDAC1 265/4885HDAC8 818/4885HDAC6 161/4885
US-20220002290-A1 TRIFLUOROMETHYL-SUBSTITUTED SULFONAMIDE AS BCL-2-SELECTIVE INHIBITOR BCL2L11, BCL2, BCL2L2 HDAC1 468/4885HDAC8 501/4885HDAC6 310/4885
US-20230159522-A1 BCL-2 INHIBITOR BCL2, BCL2A1, BCL2L1 HDAC1 1272/4885HDAC8 3012/4885HDAC6 1154/4885
US-20110217311-A1 CYCLOALKYL CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DTYMK, CMPK1, UCK2 HDAC1 3153/4885HDAC8 2822/4885HDAC6 1945/4885
US-20230002369-A1 Bcl-2 INHIBITORS BCL2, BCL2L1, BCL2L2 HDAC1 265/4885HDAC8 818/4885HDAC6 161/4885

“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.