SCHEMBL21753183

SCHEMBL21753183

COC(=O)CCCNC(C)(C)C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
CA12 O43570 2/20 0.38
CA14 Q9ULX7 2/20 0.38
RECQL P46063 1/20 0.38
EPHX2 P34913 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL1188784 0.88 TSHR (0.48) TSHRALDH1A1LMNACA12CA14
SCHEMBL31580964 0.87 DGAT1 (0.41) TSHRCA12CA14RECQLEPHX2
SCHEMBL31581538 0.86 CYP1A2 (0.46) TSHRALDH1A1EPHX2SMN1; SMN2KDM4E
SCHEMBL17574414 0.82 TSHR (0.58) TSHRALDH1A1LMNACA12CA14
SCHEMBL22851251 0.76 TSHR (0.56) TSHRALDH1A1LMNACA12CA14
Bromide SCHEMBL10579924 0.76 EPHX1 (0.48) LMNACA12CA14
SCHEMBL31580960 0.74 GAA (0.43) TSHRALDH1A1SMN1; SMN2KMT2A
SCHEMBL352813 0.74 APP (0.33) EPHX2
SCHEMBL1630787 0.74 DGAT1 (0.35)
SCHEMBL22117217 0.73 ALDH1A1 (0.47) TSHRALDH1A1LMNARECQLSMN1; SMN2

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-20260008783-A1 MODULATORS OF FSHR AND USES THEREOF GEDEON RICHTER PLC (HU) 2026-01-08 US disclosed
EP-4577206-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF Celmatix Inc. (US) 2025-07-02 EP disclosed
US-12221439-B2 Tetrahydropyridopyrimidine derivatives as AhR modulators JAGUAHR THERAPEUTICS PTE LTD (SG) 2025-02-11 US disclosed
WO-2024044778-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-02-29 WO disclosed
WO-2024044778-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-02-29 WO disclosed
EP-3841102-B1 TETRAHYDROPYRIDOPYRIMIDINE DERIVATIVES AS AHR MODULATORS JAGUAHR THERAPEUTICS PTE LTD (SG) 2022-09-14 EP disclosed
US-20210332041-A1 TETRAHYDROPYRIDOPYRIMIDINE DERIVATIVES AS AHR MODULATORS JAGUAHR THERAPEUTICS PTE LTD (SG) 2021-10-28 US disclosed
EP-3841102-A1 TETRAHYDROPYRIDOPYRIMIDINE DERIVATIVES AS AHR MODULATORS JAGUAHR THERAPEUTICS PTE LTD (SG) 2021-06-30 EP disclosed
CN-112739698-A Tetrahydropyrimidine derivatives as AHR modulators 捷豹治疗有限公司 2021-04-30 CN disclosed
WO-2020039093-A1 TETRAHYDROPYRIDOPYRIMIDINE DERIVATIVES AS AHR MODULATORS JAGUAHR THERAPEUTICS PTE LTD (SG) 2020-02-27 WO disclosed
WO-2020039093-A1 TETRAHYDROPYRIDOPYRIMIDINE DERIVATIVES AS AHR MODULATORS JAGUAHR THERAPEUTICS PTE LTD (SG) 2020-02-27 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 (3 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-20260008783-A1 MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR TSHR 16/4885ALDH1A1 3704/4885LMNA 4016/4885
US-20210332041-A1 TETRAHYDROPYRIDOPYRIMIDINE DERIVATIVES AS AHR MODULATORS AHR, ARNT, NQO1 TSHR 1416/4885ALDH1A1 128/4885LMNA 4390/4885
US-12221439-B2 Tetrahydropyridopyrimidine derivatives as AhR modulators AHR, ARNT, NQO1 TSHR 1416/4885ALDH1A1 128/4885LMNA 4390/4885

“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.