SCHEMBL12701232

SCHEMBL12701232

CN1CCN(c2ccccc2)C(C(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
NOTUM Q6P988 1/20 0.42
AGTR2 P50052 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
SLC18A3 Q16572 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL12701209 0.91 MAPK1 (0.40) MAPK1NOTUMHTR2AHTR2CHTR2B
SCHEMBL27651716 0.84 HDAC4 (0.47) MAPK1SLC6A2SLC6A4SLC6A3
SCHEMBL23198268 0.81 AGTR2 (0.44) MAPK1NOTUMAGTR2MAPTALDH1A1
SCHEMBL20141927 0.81 AGTR2 (0.44) MAPK1NOTUMAGTR2MAPTALDH1A1
SCHEMBL20141914 0.81 AGTR2 (0.44) MAPK1NOTUMAGTR2MAPTALDH1A1
SCHEMBL5702089 0.77 NOTUM (0.49) NOTUMAGTR2SMN1; SMN2ALDH1A1KMT2A
SCHEMBL5702158 0.77 NOTUM (0.49) NOTUMAGTR2SMN1; SMN2ALDH1A1KMT2A
SCHEMBL25154724 0.76 FFAR1 (0.49) MAPK1
SCHEMBL11453714 0.76 SMN1; SMN2 (0.47) MAPK1MAPTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL5633128 0.75 MAPK1 (0.61) MAPK1HTR2AHTR2CHTR2BCHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092703-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD. (JP) 2011-04-21 US 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-20110092703-A1 P2X4 RECEPTOR ANTAGONIST P2RX3, P2RX1, P2RX4 MAPK1 761/4885NOTUM 4112/4885AGTR2 285/4885

“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.