SCHEMBL21100844

SCHEMBL21100844

CC(C)N[C@@H]1CCCN(C(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 3/20 0.43
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
CDC42BPB Q9Y5S2 1/20 0.34
IL1B P01584 1/20 0.34
HRH3 Q9Y5N1 4/20 0.34
CYP2D6 P10635 1/20 0.34
CCNT1 O60563 1/20 0.33
CCNK O75909 1/20 0.33
CDK7 P50613 1/20 0.33
CDK9 P50750 1/20 0.33
CCNH P51946 1/20 0.33
MNAT1 P51948 1/20 0.33
CDK12 Q9NYV4 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CCR2 P41597 1/20 0.32
KCNH2 Q12809 1/20 0.32
KDM2B Q8NHM5 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
SCHEMBL21423874 1.00 KAT2B (0.43) KAT2BDRD2DRD3ROCK2ROCK1
SCHEMBL14453905 1.00 KAT2B (0.43) KAT2BDRD2DRD3ROCK2ROCK1
SCHEMBL20711865 0.89 HRH3 (0.38) KAT2BROCK2ROCK1CDC42BPBHRH3
SCHEMBL20124363 0.89 HRH3 (0.38) KAT2BROCK2ROCK1CDC42BPBHRH3
SCHEMBL14453868 0.89 HRH3 (0.38) KAT2BROCK2ROCK1CDC42BPBHRH3
SCHEMBL20161833 0.87 HRH3 (0.39) KAT2BDRD2DRD3ROCK2ROCK1
SCHEMBL22169878 0.83 KAT2B (0.43) KAT2BDRD2DRD3ROCK2ROCK1
SCHEMBL15803260 0.83 HRH3 (0.41) KAT2BHRH3CYP2D6KDM4EKCNH2
SCHEMBL6890044 0.83 KAT2B (0.43) KAT2BDRD2DRD3ROCK2ROCK1
SCHEMBL2738326 0.83 KAT2B (0.43) KAT2BDRD2DRD3ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023244918-A1 QUINOLONE BCL6 BIFUNCTIONAL DEGRADERS Treeline Biosciences, Inc. (US) 2023-12-21 WO disclosed
US-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2023-10-12 US disclosed
US-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2023-10-12 US disclosed
US-11547709-B2 Methods of treating disorders associated with castor ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) 2023-01-10 US disclosed
US-20210023081-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2021-01-28 US disclosed
US-20190300499-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2019-10-03 US disclosed
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-06-25 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-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR HMGCR, GCDH, CYP11A1 KAT2B 1388/4885DRD2 4873/4885DRD3 4815/4885
US-11547709-B2 Methods of treating disorders associated with castor HMGCR, GCDH, CYP11A1 KAT2B 1388/4885DRD2 4873/4885DRD3 4815/4885
US-20210023081-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR HMGCR, GCDH, CYP11A1 KAT2B 1388/4885DRD2 4873/4885DRD3 4815/4885
US-20190300499-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES PANK2, PANK1, PANK3 KAT2B 2445/4885DRD2 3889/4885DRD3 4093/4885
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK KAT2B 2790/4885DRD2 3238/4885DRD3 3152/4885

“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.