SCHEMBL22014041

SCHEMBL22014041

Cc1cc(CO)c(CO)cc1N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.43
NR3C1 P04150 6/20 0.42
TSHR P16473 3/20 0.41
TSPO P30536 1/20 0.40
S1PR1 P21453 2/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
PGR P06401 1/20 0.38
NR3C2 P08235 1/20 0.38
AR P10275 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MGLL Q99685 1/20 0.38
EGFR P00533 1/20 0.38
CSF1R P07333 1/20 0.38
CRHR1 P34998 1/20 0.38
KMT2A Q03164 1/20 0.37

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
SCHEMBL21964089 0.93 CYP2C19 (0.38) CYP2C19NR3C1TSHRTSPOS1PR1
SCHEMBL29368467 0.93 CYP2C19 (0.38) CYP2C19NR3C1TSHRTSPOS1PR1
SCHEMBL273356 0.76 CYP2C19 (0.46) CYP2C19NR3C1TSHRTSPOTRPM8
SCHEMBL18507803 0.76 CYP2C19 (0.46) CYP2C19NR3C1TSHRTSPOTRPM8
SCHEMBL21963902 0.75 TSPO (0.49) CYP2C19NR3C1TSHRTSPOTRPM8
SCHEMBL7002879 0.75 CYP2C19 (0.49) CYP2C19NR3C1TSHRTSPOTRPM8
Hydrochloric Acid SCHEMBL274742 0.75 CYP2C19 (0.44) CYP2C19NR3C1TSHRTSPOTRPM8
SCHEMBL7031016 0.72 CYP2C19 (0.50) CYP2C19NR3C1TSHRS1PR1CRHBP
SCHEMBL3006766 0.72 TRPM8 (0.54) CYP2C19NR3C1TSHRTRPM8PGR
SCHEMBL13502119 0.72 CYP2C19 (0.42) CYP2C19NR3C1TSHRTSPOTRPM8

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-20230036854-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS THE UNIVERSITY OF SHEFFIELD (GB) 2023-02-02 US disclosed
CN-114007695-A As AM2Heterocyclic spiro-compounds as receptor inhibitors 谢菲尔德大学 2022-02-01 CN disclosed
WO-2020099885-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS THE UNIVERSITY OF SHEFFIELD (GB) 2020-05-22 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-20230036854-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS MC2R, AGTR2, NR3C2 CYP2C19 551/4885NR3C1 234/4885TSHR 171/4885

“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.