SCHEMBL21758314

SCHEMBL21758314

COC(=O)C1CCN(Cc2ccccc2)C(C)(C)C1=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 3/20 0.45
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
MCHR1 Q99705 1/20 0.38

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
SCHEMBL17540982 0.88 MEN1 (0.54) ALDH1A1MAPTNPSR1HSD17B10KMT2A
SCHEMBL21605452 0.86 TMEM97 (0.42) ALDH1A1MAPTHSD17B10KMT2ASMN1; SMN2
SCHEMBL27154192 0.79 SMN1; SMN2 (0.47) FKBP1AALDH1A1MAPTNPSR1KMT2A
SCHEMBL28640311 0.75 ALDH1A1 (0.43) FKBP1AALDH1A1MAPTHPGDNPSR1
SCHEMBL27121186 0.75 TSHR (0.41) MAPTKMT2AMEN1SIGMAR1
SCHEMBL350620 0.74 SIGMAR1 (0.48) FKBP1ASIGMAR1MCHR1
SCHEMBL2478514 0.73 FKBP1A (0.46) FKBP1AALDH1A1MAPTHPGDNPSR1
SCHEMBL17063254 0.72 AMPD2 (0.44) FKBP1AALDH1A1MAPTHPGDNPSR1
Hydrochloric Acid SCHEMBL5555279 0.71 FKBP1A (0.54) FKBP1AALDH1A1MAPTHPGDNPSR1
SCHEMBL2070172 0.71 FKBP1A (0.54) FKBP1AALDH1A1MAPTHPGDNPSR1

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-12221439-B2 Tetrahydropyridopyrimidine derivatives as AhR modulators JAGUAHR THERAPEUTICS PTE LTD (SG) 2025-02-11 US 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
US-20210332041-A1 TETRAHYDROPYRIDOPYRIMIDINE DERIVATIVES AS AHR MODULATORS JAGUAHR THERAPEUTICS PTE LTD (SG) 2021-10-28 US 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

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-20210332041-A1 TETRAHYDROPYRIDOPYRIMIDINE DERIVATIVES AS AHR MODULATORS AHR, ARNT, NQO1 FKBP1A 1640/4885ALDH1A1 128/4885MAPT 4638/4885
US-12221439-B2 Tetrahydropyridopyrimidine derivatives as AhR modulators AHR, ARNT, NQO1 FKBP1A 1640/4885ALDH1A1 128/4885MAPT 4638/4885

“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.