SCHEMBL2990558

SCHEMBL2990558

CC1(NC(=O)OCc2ccccc2)CCC2(CC1)OCCO2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.46
CTSS P25774 3/20 0.46
CTSL P07711 2/20 0.46
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CTSK P43235 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
ATM Q13315 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
GAA P10253 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL14743992 0.89 CTSL (0.54) CTSBCTSSCTSLALDH1A1NPC1
SCHEMBL22041787 0.85 CTSS (0.49) CTSBCTSSCTSLALDH1A1NPC1
SCHEMBL18793707 0.84 CTSB (0.55) CTSBCTSSCTSLALDH1A1NPC1
SCHEMBL31542955 0.83 CTSS (0.54) CTSBCTSSCTSLALDH1A1NPC1
SCHEMBL19054718 0.82 CTSS (0.60) CTSBCTSSCTSLALDH1A1NPC1
SCHEMBL22041903 0.82 CTSS (0.47) CTSBCTSSCTSLALDH1A1NPC1
SCHEMBL51465 0.81 CTSL (0.49) CTSBCTSSCTSLCTSK
SCHEMBL19176803 0.81 ALDH1A1 (0.50) ALDH1A1
SCHEMBL1809108 0.81 CTSS (0.51) CTSBCTSSCTSLALDH1A1NPC1
SCHEMBL1810545 0.80 CTSS (0.51) CTSBCTSSCTSLALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025097104-A1 THIENYL COMPOUNDS FOR THE TREATMENT OF A CENTRAL NERVOUS SYSTEM DISEASE OR DISORDER PGI DRUG DISCOVERY LLC (US) 2025-05-08 WO disclosed
US-20250019376-A1 CHROMANE AMIDINE MONOBACTAM ANTIBIOTICS MERCK SHARP & DOHME LLC (US) 2025-01-16 US disclosed
EP-4433476-A1 CHROMANE AMIDINE MONOBACTAM ANTIBIOTICS Merck Sharp & Dohme LLC (US) 2024-09-25 EP disclosed
US-11932637-B2 Chromane amidine monobactam compounds for the treatment of bacterial infections MERCK SHARP & DOHME LLC (US) 2024-03-19 US disclosed
WO-2023091438-A1 CHROMANE AMIDINE MONOBACTAM ANTIBIOTICS MERCK SHARP & DOHME LLC (US) 2023-05-25 WO disclosed
US-20230159517-A1 CHROMANE AMIDINE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME LLC (US) 2023-05-25 US disclosed
US-20220204510-A1 2,3-DIHYDRO-1H-PYRROLIZINE-7-FORMAMIDE DERIVATIVE AND APPLICATION THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-06-30 US disclosed
EP-3805223-A1 2,3-DIHYDRO-1H-PYRROLIZINE-7-FORMAMIDE DERIVATIVE AND APPLICATION THEREOF Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2021-04-14 EP disclosed
US-20100184764-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2010-07-22 US disclosed
US-7713979-B2 Cycloalkyl lactam derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2010-05-11 US disclosed
EP-1807072-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2009-01-07 EP disclosed
US-20080275043-A1 Cycloalkyl Lactam Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-11-06 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 (6 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-20230159517-A1 CHROMANE AMIDINE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS TCOF1, SLC10A2, PAM CTSB 684/4885CTSS 756/4885CTSL 761/4885
US-20250019376-A1 CHROMANE AMIDINE MONOBACTAM ANTIBIOTICS PAM, ACMSD, MGAM2 CTSB 623/4885CTSS 1761/4885CTSL 1662/4885
US-20080275043-A1 Cycloalkyl Lactam Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSDL2, HSD17B1 CTSB 3775/4885CTSS 2522/4885CTSL 430/4885
US-20100184764-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD3B1 CTSB 2626/4885CTSS 1350/4885CTSL 1881/4885
US-20220204510-A1 2,3-DIHYDRO-1H-PYRROLIZINE-7-FORMAMIDE DERIVATIVE AND APPLICATION THEREOF DPYD, EIF2AK2, INF2 CTSB 2754/4885CTSS 3919/4885CTSL 2654/4885
US-11932637-B2 Chromane amidine monobactam compounds for the treatment of bacterial infections MGAM, MGAM2, ELANE CTSB 523/4885CTSS 1753/4885CTSL 1758/4885

“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.