SCHEMBL22904288

SCHEMBL22904288

CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)C[C@H]1CN[C@H]1CCCc2cccnc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.53
CXCR4 P61073 2/20 0.45
KDM1A O60341 3/20 0.43
GRIN2B Q13224 4/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
JAK2 O60674 3/20 0.39
JAK1 P23458 3/20 0.39
TYK2 P29597 2/20 0.39
JAK3 P52333 2/20 0.39
PRMT5 O14744 1/20 0.38
HTT P42858 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38

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
SCHEMBL25459039 1.00 PARP1 (0.53) PARP1CXCR4KDM1AGRIN2BHDAC1
SCHEMBL22904326 1.00 PARP1 (0.53) PARP1CXCR4KDM1AGRIN2BHDAC1
SCHEMBL20483030 0.97 PARP1 (0.49) PARP1CXCR4KDM1AGRIN2BHDAC1
SCHEMBL30069451 0.97 PARP1 (0.49) PARP1CXCR4KDM1AGRIN2BHDAC1
SCHEMBL20483031 0.97 PARP1 (0.49) PARP1CXCR4KDM1AGRIN2BHDAC1
SCHEMBL26338460 0.89 PARP1 (0.52) PARP1CXCR4KDM1AGRIN2BFNTA
SCHEMBL20482778 0.88 FNTA (0.47) PARP1CXCR4KDM1AHDAC1HDAC6
SCHEMBL20482781 0.88 FNTA (0.47) PARP1CXCR4KDM1AHDAC1HDAC6
SCHEMBL26338770 0.86 PARP1 (0.47) PARP1CXCR4GRIN2BFNTAFNTB
SCHEMBL25459112 0.81 AGTR2 (0.46) PARP1CXCR4KDM1AGRIN2BHDAC1

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-12286434-B2 Pan-tropic entry inhibitors EMORY UNIVERSITY (US) 2025-04-29 US disclosed
US-20230271961-A1 Pan-Tropic Entry Inhibitors UNIV EMORY (US) 2023-08-31 US disclosed
US-20230271961-A1 Pan-Tropic Entry Inhibitors UNIV EMORY (US) 2023-08-31 US disclosed
US-11649235-B2 Pan-tropic entry inhibitors EMORY UNIVERSITY (US) 2023-05-16 US disclosed
US-11649235-B2 Pan-tropic entry inhibitors EMORY UNIVERSITY (US) 2023-05-16 US disclosed
US-11649235-B2 Pan-tropic entry inhibitors EMORY UNIVERSITY (US) 2023-05-16 US disclosed
US-20210017178-A1 Pan-Tropic Entry nhibitors UNIV EMORY (US) 2021-01-21 US disclosed
US-20160331734-A1 SUBSTITUTED N-ARYL PYRIDINONES AUSPEX PHARMACEUTICALS, INC. 2016-11-17 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-11649235-B2 Pan-tropic entry inhibitors CXCR4, CCR5, CXCL12 PARP1 630/4885CXCR4 1/4885KDM1A 4662/4885
US-20210017178-A1 Pan-Tropic Entry nhibitors CXCR4, CXCL12, CCR5 PARP1 473/4885CXCR4 1/4885KDM1A 4225/4885
US-20230271961-A1 Pan-Tropic Entry Inhibitors CXCR4, CCR5, CXCL12 PARP1 555/4885CXCR4 1/4885KDM1A 4439/4885
US-20160331734-A1 SUBSTITUTED N-ARYL PYRIDINONES COL1A1, COL2A1, COLGALT1 PARP1 1054/4885CXCR4 1003/4885KDM1A 629/4885
US-12286434-B2 Pan-tropic entry inhibitors CXCR4, CCR5, CXCL12 PARP1 630/4885CXCR4 1/4885KDM1A 4662/4885

“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.