SCHEMBL21028295

SCHEMBL21028295

COC(=O)C1CCc2cc3cc(F)ccc3n2C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
SLC6A3 Q01959 5/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 2/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35

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
SCHEMBL21028086 0.85 SMN1; SMN2 (0.39) ALDH1A1
SCHEMBL21027979 0.84 HTR2A (0.43) SIGMAR1ALDH1A1SLC6A3SLC6A2SLC6A4
SCHEMBL21028298 0.74 TSHR (0.48) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL21028329 0.74 ALDH1A1 (0.40) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL18202287 0.72 ALDH1A1 (0.38) SIGMAR1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8328343 0.71 ALDH1A1 (0.45) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL31196329 0.70 HTR2A (0.44) KDM4EALDH1A1HPGDHSD17B10CYP11B1
SCHEMBL31196358 0.69 CYP11B2 (0.46) CYP11B1CYP11B2DPP4DPP8DPP9
SCHEMBL31196350 0.69 CYP11B2 (0.46) CYP11B1CYP11B2DPP4DPP8DPP9
SCHEMBL17907976 0.69 PTGDR2 (0.39) HPGD

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-11524958-B2 Tricyclic compound as CRTH2 inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-12-13 US disclosed
US-20210403466-A1 TRICYCLIC COMPUND AS CRTH2 INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-12-30 US disclosed
EP-3489235-A1 TRICYCLIC COMPOUND AS CRTH2 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-05-29 EP 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-20210403466-A1 TRICYCLIC COMPUND AS CRTH2 INHIBITOR NR3C2, CRHR2, CRHR1 SIGMAR1 2270/4885KDM4E 4769/4885ALDH1A1 3257/4885
US-11524958-B2 Tricyclic compound as CRTH2 inhibitor NR1H2, NR3C2, NR1H4 SIGMAR1 3069/4885KDM4E 4751/4885ALDH1A1 3139/4885

“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.