Sugi Predict

Sugi Predict / Compounds / SCHEMBL7629700

SCHEMBL7629700

SCHEMBL7629700

COC(=O)[C@@H]1CC2CCCCC2CN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ MMP2 P08253 1/20 0.39
▸ ANPEP P15144 1/20 0.39
▸ CYP3A4 P08684 6/20 0.39
▸ NR1H2 P55055 3/20 0.39
▸ NR1H3 Q13133 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ FKBP1A P62942 1/20 0.39
▸ PTPN1 P18031 1/20 0.38
▸ EPHX1 P07099 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CHRM2 P08172 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL6184237 1.00 ALDH1A1 (0.42) ALDH1A1MMP2ANPEPCYP3A4NR1H2
SCHEMBL29523552 0.94 ALDH1A1 (0.42) ALDH1A1MMP2ANPEPCYP3A4NR1H2
SCHEMBL26567723 0.93 ALDH1A1 (0.44) ALDH1A1MMP2ANPEPCYP3A4NR1H2
SCHEMBL30571945 0.93 ALDH1A1 (0.44) ALDH1A1MMP2ANPEPCYP3A4NR1H2
SCHEMBL30392400 0.93 ALDH1A1 (0.44) ALDH1A1MMP2ANPEPCYP3A4NR1H2
SCHEMBL30181036 0.92 NR1H2 (0.40) ALDH1A1MMP2ANPEPCYP3A4NR1H2
SCHEMBL30396157 0.89 CYP3A4 (0.43) ALDH1A1MMP2ANPEPCYP3A4NR1H2
SCHEMBL18084464 0.87 NR1H2 (0.43) ALDH1A1MMP2ANPEPCYP3A4NR1H2
SCHEMBL15013224 0.86 NPC1 (0.42) ALDH1A1CYP3A4NR1H2NR1H3MAPT
SCHEMBL6183944 0.86 HSD17B10 (0.45) CYP3A4NR1H2NR1H3EPHX1HSD17B10

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-6410548-B2 THERAPY FOR OBESITY, DIABETES, SEXUAL DISORDERS MERCK & CO., INC. 2002-06-25 — — US disclosed
US-20010029259-A1 Spiropiperidine derivatives as melanocortin receptor agonists MERCK SHARP & DOHME CORP. 2001-10-11 — — US disclosed
EP-1085869-A4 SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS MERCK & CO INC (US) 2001-10-04 — — EP disclosed
US-6294534-B1 TREATMENT OF DISORDERS RESPONSIVE TO THE ACTIVATION OF MELANOCORTIN RECEPTORS, SUCH AS OBESITY, DIABETES OR MALE OR FEMALE SEXUAL DYSFUNCTION. MERCK & CO., INC. 2001-09-25 — — US disclosed
EP-1085869-A1 SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS Merck & Co., Inc. (US) 2001-03-28 — — EP disclosed
WO-1999064002-A1 SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS MERCK & CO., INC. (US) 1999-12-16 — — 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 (1 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-20010029259-A1 Spiropiperidine derivatives as melanocortin receptor agonists MC5R, MC4R, MC3R ALDH1A1 1769/4885MMP2 3260/4885ANPEP 997/4885

“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.