SCHEMBL791000

SCHEMBL791000

CC(C)(C)C1[C@H](CO)CCN1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.33
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 2/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL14994067 1.00 RIPK1 (0.33) RIPK1POLBL3MBTL1LMNACYP2C19
SCHEMBL16246924 1.00 RIPK1 (0.33) RIPK1POLBL3MBTL1LMNACYP2C19
SCHEMBL344649 1.00 RIPK1 (0.33) RIPK1POLBL3MBTL1LMNACYP2C19
SCHEMBL860060 1.00 RIPK1 (0.33) RIPK1POLBL3MBTL1LMNACYP2C19
SCHEMBL771956 0.90 POLB (0.41) RIPK1POLBL3MBTL1LMNACYP2C19
SCHEMBL5469615 0.90 POLB (0.41) RIPK1POLBL3MBTL1LMNACYP2C19
SCHEMBL506328 0.90 RIPK1 (0.31) RIPK1POLBL3MBTL1
SCHEMBL1975621 0.90 POLB (0.41) RIPK1POLBL3MBTL1LMNACYP2C19
SCHEMBL8646401 0.90 POLB (0.41) RIPK1POLBL3MBTL1LMNACYP2C19
SCHEMBL6398284 0.86 RIPK1 (0.31) RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802128-B2 Azetidine and pyrrolidine PARP1 inhibitors and uses thereof XINTHERA, INC. (US) 2023-10-31 US disclosed
US-20230203033-A1 AZETIDINE AND PYRROLIDINE PARP1 INHIBITORS AND USES THEREOF XINTHERA, INC. 2023-06-29 US disclosed
CN-107849019-A A kind of azepine Cydic amide derivatives and preparation method thereof and purposes in medicine 四川海思科制药有限公司 2018-03-27 CN disclosed
US-20070015743-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2007-01-18 US disclosed
US-6846835-B2 Treating chronic obstructive pulmonary disease, chronic bronchitis, asthma, chronic respiratory tract obstruction, fibroid lung, pulmonary emphysema or rhinitis BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-01-25 US disclosed
US-20030191316-A1 Ester derivatives MSD K.K. (JP) 2003-10-09 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 (4 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-20070015743-A1 Quinazoline derivatives as antitumor agents ERBB2, ABL1, EGFR RIPK1 1813/4885POLB 1188/4885L3MBTL1 3582/4885
US-11802128-B2 Azetidine and pyrrolidine PARP1 inhibitors and uses thereof PARP1, PARP11, PARP12 RIPK1 745/4885POLB 25/4885L3MBTL1 3291/4885
US-20230203033-A1 AZETIDINE AND PYRROLIDINE PARP1 INHIBITORS AND USES THEREOF PARP1, PARP11, PARP12 RIPK1 489/4885POLB 78/4885L3MBTL1 3158/4885
US-20030191316-A1 Ester derivatives CHRM3, CHRM2, CHRM1 RIPK1 3797/4885POLB 2575/4885L3MBTL1 1179/4885

“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.