SCHEMBL5880416

SCHEMBL5880416

CC(C)(C)OC(=O)N1Cc2[nH]c3ccccc3c2C[C@H]1C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.67
CYP19A1 P11511 5/20 0.59
ACHE P22303 1/20 0.55
DRD5 P21918 1/20 0.53
MMP3 P08254 1/20 0.53
MMP8 P22894 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL29666098 1.00 ACE (0.67) ACECYP19A1ACHEDRD5MMP3
SCHEMBL677552 1.00 ACE (0.67) ACECYP19A1ACHEDRD5MMP3
SCHEMBL8243497 1.00 ACE (0.67) ACECYP19A1ACHEDRD5MMP3
SCHEMBL26312410 0.91 CYP19A1 (0.57) ACECYP19A1ACHEMEN1KMT2A
SCHEMBL16265990 0.90 CYP19A1 (0.56) ACECYP19A1ACHEMEN1KMT2A
SCHEMBL24380346 0.89 CYP19A1 (0.72) CYP19A1
SCHEMBL25756464 0.89 CYP19A1 (0.72) CYP19A1
SCHEMBL29582353 0.89 CYP19A1 (0.72) CYP19A1
SCHEMBL16750308 0.89 CYP19A1 (0.72) CYP19A1
SCHEMBL15112500 0.88 ACHE (0.57) ACECYP19A1ACHEMEN1KMT2A

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 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112010937-B YIGSR modified pentacyclic piperazinedione and preparation and application thereof 首都医科大学(CN) 2023-01-13 CN claimed
CN-112010935-B Acetyl RGD modified hexacyclic piperazinedione, preparation, anti-tumor activity and application thereof 首都医科大学 2022-08-05 CN claimed
CN-111978372-B RGD sequence peptide modified hexacyclic piperazinedione, preparation, antitumor activity and application thereof 首都医科大学 2022-08-02 CN claimed
CN-112010938-B Acetyl RGD modified hexacyclic piperazinedione, preparation, anti-inflammatory activity and application thereof 首都医科大学 2022-08-02 CN claimed
CN-112010934-B Acetyl RGD modified hexacyclic piperazinedione, preparation, transfer-resistant activity and application thereof 首都医科大学 2022-08-02 CN claimed
CN-112010855-B Hexacyclic piperazinedione compounds, preparation, biological activity and application thereof 首都医科大学 2021-06-08 CN claimed
CN-112010934-A Acetyl RGD modified hexacyclic piperazinedione, preparation, transfer-resistant activity and application thereof 首都医科大学 2020-12-01 CN claimed
CN-112010939-A RGD sequence peptide modified hexacyclic piperazinedione, preparation, anti-inflammatory activity and application thereof 首都医科大学 2020-12-01 CN claimed
CN-112010930-A RGD modified pentacyclic piperazinedione and preparation and application thereof 首都医科大学 2020-12-01 CN claimed
CN-112010937-A YIGSR modified pentacyclic piperazinedione and preparation and application thereof 首都医科大学 2020-12-01 CN claimed
CN-112010938-A Acetyl RGD modified hexacyclic piperazinedione, preparation, anti-inflammatory activity and application thereof 首都医科大学 2020-12-01 CN claimed
CN-112010855-A Hexacyclic piperazinedione compounds, preparation, biological activity and application thereof 首都医科大学 2020-12-01 CN claimed
CN-112010929-A RGD sequence peptide modified hexacyclic piperazinedione, preparation, transfer-resistant activity and application thereof 首都医科大学 2020-12-01 CN claimed
CN-112010935-A Acetyl RGD modified hexacyclic piperazinedione, preparation, anti-tumor activity and application thereof 首都医科大学 2020-12-01 CN claimed
CN-111978372-A RGD sequence peptide modified hexacyclic piperazinedione, preparation, antitumor activity and application thereof 首都医科大学 2020-11-24 CN claimed
US-20050080015-A1 Carboline-3-carboxylic acid modified related sequences of Ala-Arg-Pro-Ala-Lys, their synthesis and use as thromobolytic agent GUANGZHOU BAI YUN SHAN PHARMACEUTICAL CO. LTD (CN) 2005-04-14 US claimed
US-12458627-B2 Autotaxin inhibitors and uses thereof DF 2024 IP ACQUISITION, LLC (US) 2025-11-04 US disclosed
CN-112010914-B Glucosamine modified pentacyclic piperazine dione and preparation and application thereof 首都医科大学 2023-06-27 CN disclosed
US-5162336-A Disorders of gastrointestinal, central nervous and appetite regulatory systems RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1992-11-10 US disclosed
US-4965250-A TETRAPEPTIDE; IMMUNE SYSTEM ACTIVATION ADIR ET CIE (FR) 1990-10-23 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 (2 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-20050080015-A1 Carboline-3-carboxylic acid modified related sequences of Ala-Arg-Pro-Ala-Lys, their synthesis and use as thromobolytic agent PEPD, PLAT, CTSL ACE 201/4885CYP19A1 2573/4885ACHE 3150/4885
US-12458627-B2 Autotaxin inhibitors and uses thereof ENPP2, SERPINB1, RNASE1 ACE 442/4885CYP19A1 2934/4885ACHE 826/4885

“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.