SCHEMBL21664720

SCHEMBL21664720

COCCN1CC[C@H](Oc2cnccn2)C1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
NAAA Q02083 6/20 0.44
LTA4H P09960 1/20 0.41
PTGS2 P35354 1/20 0.41
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
CYP2C9 P11712 1/20 0.39
EPHX2 P34913 1/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2B Q13224 2/20 0.39

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
SCHEMBL20334110 0.83 GPR119 (0.38)
SCHEMBL20326230 0.83 GPR119 (0.38)
SCHEMBL23349977 0.81 GPR119 (0.38)
SCHEMBL20329900 0.81 GPR119 (0.38)
SCHEMBL19963559 0.81 GPR119 (0.38)
SCHEMBL20069142 0.81 CHRM2 (0.52) CHRM2CHRM1NAAAEPHX2
SCHEMBL20230931 0.79 GPR119 (0.36)
SCHEMBL8302494 0.79 NAAA (0.55) CHRM2CHRM1NAAAEPHX2
SCHEMBL30775305 0.76 GRIN1 (0.48) CHRM2CHRM1NAAACYP2C9EPHX2
SCHEMBL22297201 0.76 ACACB (0.42)

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-20200038513-A1 MODULATORS OF FAK PROTEOLYSIS AND ASSOCIATED METHODS OF USE YALE UNIVERSITY 2020-02-06 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-20200038513-A1 MODULATORS OF FAK PROTEOLYSIS AND ASSOCIATED METHODS OF USE PTK2, CTTN, CRBN CHRM2 3835/4885CHRM1 3932/4885NAAA 4530/4885

“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.