SCHEMBL3290270

SCHEMBL3290270

C=CCC1NC(=O)CNC1=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
HRH3 Q9Y5N1 2/20 0.35
CXCR4 P61073 1/20 0.32
ITGB3 P05106 7/20 0.31
ITGAV P06756 7/20 0.31
ITGB5 P18084 7/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL14156657 0.78 ALDH1A1 (0.37) ALDH1A1HRH3
SCHEMBL1483113 0.77 ALDH1A1 (0.52) ALDH1A1MEN1MAPTKMT2AL3MBTL1
SCHEMBL4410585 0.75 HRH3 (0.38) HRH3ITGB3ITGAVITGB5
SCHEMBL12334338 0.75 HRH3 (0.38) HRH3ITGB3ITGAVITGB5
SCHEMBL4402037 0.75 HRH3 (0.38) HRH3ITGB3ITGAVITGB5
SCHEMBL6948618 0.74 HRH3 (0.37) ALDH1A1HRH3ITGB3ITGAVITGB5
SCHEMBL17966443 0.74 ITGB3 (0.39) ALDH1A1HRH3ITGB3ITGAVITGB5
SCHEMBL31420767 0.74 HRH3 (0.37) HRH3ITGB3ITGAVITGB5
SCHEMBL10417796 0.74 ITGB3 (0.39) ALDH1A1HRH3ITGB3ITGAVITGB5
SCHEMBL417814 0.74 HRH3 (0.37) ALDH1A1HRH3ITGB3ITGAVITGB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230017155-A1 SLEEP IMPROVING AGENT Amino Up Co., Ltd. (JP) 2023-01-19 US disclosed
US-20200246335-A1 SLEEP IMPROVING AGENT AMINO UP CHEMICAL CO., LTD. (JP) 2020-08-06 US disclosed
US-20190201395-A1 SLEEP IMPROVING AGENT AMINO UP CHEMICAL CO., LTD. (JP) 2019-07-04 US disclosed
EP-3466427-A1 SLEEP IMPROVING AGENT Amino Up Chemical Co., Ltd. (JP) 2019-04-10 EP disclosed
EP-1562901-B1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 INHIBITORS FOR THE TREATMENT OF ANDROGEN DEPENDENT DISEASES SCHERING CORP (US) 2010-06-02 EP disclosed
US-7476681-B2 anticarcinogenic agent; prostate cancer, benign prostatic hyperplasia, prostatic intraepithelial neoplasia, hirsutism, acne, androgenic alopecia, or polycystic ovary syndrome, prostate, lung, pancreatic, colon, renal cancer, myeloid leukemia SCHERING CORPORATION (US) 2009-01-13 US disclosed
US-7074795-B2 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases SCHERING CORPORATION (US) 2006-07-11 US disclosed
US-20060148816-A1 anticarcinogenic agent; prostate cancer, benign prostatic hyperplasia, prostatic intraepithelial neoplasia, hirsutism, acne, androgenic alopecia, or polycystic ovary syndrome, prostate, lung, pancreatic, colon, renal cancer, myeloid leukemia SCHERING CORPORATION 2006-07-06 US disclosed
EP-1562901-A1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 INHIBITORS FOR THE TREATMENT OF ANDROGEN DEPENDENT DISEASES SCHERING CORPORATION (US) 2005-08-17 EP disclosed
US-20040127503-A1 17Beta-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases SCHERING CORPORATION 2004-07-01 US disclosed
WO-2004046111-A1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 INHIBITORS FOR THE TREATMENT OF ANDROGEN DEPENDENT DISEASES SCHERING CORPORATION (US) 2004-06-03 WO 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-20190201395-A1 SLEEP IMPROVING AGENT HSF1, HSPH1, HSPA2 ALDH1A1 1443/4885HRH3 151/4885CXCR4 4187/4885
US-20060148816-A1 anticarcinogenic agent; prostate cancer, benign prostatic hyperplasia, prostatic intraepithelial neoplasia, hirsutism, acne, androgenic alopecia, or polycystic ovary syndrome, prostate, lung, pancreatic, colon, renal cancer, myeloid leukemia HSD3B1, HSD17B3, HSD3B2 ALDH1A1 144/4885HRH3 2874/4885CXCR4 3740/4885
US-20040127503-A1 17Beta-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases HSD17B3, HSD17B1, HSD17B11 ALDH1A1 96/4885HRH3 3802/4885CXCR4 4455/4885
US-20230017155-A1 SLEEP IMPROVING AGENT HSF1, HSPH1, HSPA2 ALDH1A1 1345/4885HRH3 267/4885CXCR4 4584/4885
US-20200246335-A1 SLEEP IMPROVING AGENT HSF1, HSPH1, HSPA2 ALDH1A1 1443/4885HRH3 151/4885CXCR4 4187/4885

“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.