SCHEMBL21963902

SCHEMBL21963902

Cc1cc(C(=O)O)c(C(=O)O)cc1N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.49
KMT2A Q03164 1/20 0.46
BCL2L1 Q07817 1/20 0.45
MCL1 Q07820 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
HCAR3 P49019 1/20 0.43
NR3C1 P04150 3/20 0.43
ABCC1 P33527 1/20 0.42
CYP2C19 P33261 1/20 0.42
NOTUM Q6P988 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL22014036 0.85 NR3C1 (0.48) TSPOKMT2ATRPM8CRHBPCRHR2
SCHEMBL28504745 0.80 NR3C1 (0.46) TSPOKMT2ABCL2L1MCL1CRHBP
SCHEMBL6118873 0.78 PTPN1 (0.50) TSPOKMT2ATSHRHCAR3NR3C1
SCHEMBL22014041 0.75 CYP2C19 (0.43) TSPOKMT2ATRPM8TSHRCRHBP
SCHEMBL18507803 0.75 CYP2C19 (0.46) TSPOTRPM8TSHRCRHBPCRHR2
SCHEMBL273356 0.75 CYP2C19 (0.46) TSPOTRPM8TSHRCRHBPCRHR2
SCHEMBL7002879 0.73 CYP2C19 (0.49) TSPOTRPM8TSHRCRHBPCRHR2
Hydrochloric Acid SCHEMBL274742 0.73 CYP2C19 (0.44) TSPOTRPM8TSHRCRHBPCRHR2
SCHEMBL15227812 0.73 MEN1 (0.55) TSPOKMT2ABCL2L1MCL1CRHBP
SCHEMBL694467 0.73 NR3C1 (0.42) TSPOKMT2ATRPM8TSHRCRHBP

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 4 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
EP-3880308-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS The University Of Sheffield (GB) 2021-09-22 EP 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 TSPO 2526/4885KMT2A 3866/4885BCL2L1 2112/4885

“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.