SCHEMBL22979668

SCHEMBL22979668

C[C@@H](NC(=O)O)C(=O)N1CCN(C)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
CYP1A2 P05177 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP2C19 P33261 1/20 0.42
CHRM1 P11229 3/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
HTR1A P08908 1/20 0.40
CHRM3 P20309 2/20 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
SCHEMBL22979670 1.00 HSD17B10 (0.45) HSD17B10KDM4EALDH1A1KDM4CCYP1A2
SCHEMBL13645813 0.85 CYP1A2 (0.48) HSD17B10KDM4EALDH1A1KDM4CCYP1A2
SCHEMBL4239694 0.84 HPGD (0.41) ALDH1A1
SCHEMBL17275494 0.84 HPGD (0.41) ALDH1A1
SCHEMBL5552024 0.82 MMP1 (0.41) ALDH1A1
SCHEMBL14365687 0.81 CYP1A2 (0.41) HSD17B10KDM4EALDH1A1KDM4CCYP1A2
SCHEMBL14365733 0.81 CYP1A2 (0.41) HSD17B10KDM4EALDH1A1KDM4CCYP1A2
SCHEMBL25533933 0.80 CYP1A2 (0.44) HSD17B10KDM4EALDH1A1KDM4CCYP1A2
SCHEMBL9050303 0.79 SMN1; SMN2 (0.53) HSD17B10ALDH1A1CYP2C19
SCHEMBL27154468 0.79 CHRM5 (0.42) CYP1A2CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2023-04-13 US disclosed
EP-4013508-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES Bayer Aktiengesellschaft (DE) 2022-06-22 EP disclosed
WO-2021028382-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2021-02-18 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-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES AHR, HRH4, HRH1 HSD17B10 3997/4885KDM4E 1364/4885ALDH1A1 597/4885

“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.