SCHEMBL21028079

SCHEMBL21028079

CC(C)(C)OC(=O)C1CCCc2cc3ccccc3n21

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 10/20 0.37
CASP3 P42574 1/20 0.36
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
OGFRL1 Q5TC84 2/20 0.36
ROCK2 O75116 1/20 0.36
NR1H3 Q13133 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
AVPR2 P30518 1/20 0.34
NOTUM Q6P988 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 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
SCHEMBL21028082 0.80 NR1H2 (0.35) NR1H2NR1H3SIGMAR1NOTUMCA12
SCHEMBL3542987 0.79 NOTUM (0.40) NR1H2NR1H3SIGMAR1NOTUMCA12
SCHEMBL928229 0.78 HPGD (0.38) CASP3
SCHEMBL928181 0.78 HPGD (0.38) CASP3
SCHEMBL30684094 0.77 CYP1A2 (0.40) OPRM1OPRD1OGFRL1SIGMAR1NOTUM
SCHEMBL21028027 0.71 KMT2A (0.37) NOTUM
SCHEMBL12598328 0.68 HTR2A (0.38) NR1H2SIGMAR1
SCHEMBL21028020 0.68 HTR2A (0.38) OPRM1OPRD1SIGMAR1NOTUM
SCHEMBL12598321 0.68 NOTUM (0.42) NR1H2NR1H3NOTUMCA12CA9
SCHEMBL13279458 0.67 CCR9 (0.34) NR1H2

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 NR1H2 4/4885CASP3 4779/4885OPRM1 1866/4885
US-11524958-B2 Tricyclic compound as CRTH2 inhibitor NR1H2, NR3C2, NR1H4 NR1H2 1/4885CASP3 4679/4885OPRM1 1938/4885

“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.