SCHEMBL14778992

SCHEMBL14778992

C[C@@H]1CN(C(=O)OCc2ccccc2)C=C1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
CACNA1G O43497 1/20 0.45
CACNA1H O95180 1/20 0.45
CACNA1I Q9P0X4 1/20 0.45
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
P2RX4 Q99571 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
P2RX1 P51575 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
SCHEMBL14372548 0.77 SMN1; SMN2 (0.60) HTR2CSMN1; SMN2NPC1RAB9ACACNA1G
SCHEMBL2980232 0.76 HTR2C (0.43) HTR2CALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL5517082 0.75 HTR2C (0.64) HTR2CSMN1; SMN2NPC1RAB9ACACNA1G
SCHEMBL10053573 0.75 HTR2C (0.64) HTR2CSMN1; SMN2NPC1RAB9ACACNA1G
SCHEMBL5517077 0.75 HTR2C (0.64) HTR2CSMN1; SMN2NPC1RAB9ACACNA1G
SCHEMBL6819973 0.75 SMN1; SMN2 (0.48) HTR2CSMN1; SMN2NPC1RAB9ACACNA1G
SCHEMBL8562576 0.74 KMT2A (0.48) HTR2CSMN1; SMN2NPC1RAB9ACACNA1G
SCHEMBL16472423 0.74 SMN1; SMN2 (0.60) HTR2CSMN1; SMN2NPC1RAB9ACACNA1G
SCHEMBL15218647 0.74 SMN1; SMN2 (0.60) HTR2CSMN1; SMN2NPC1RAB9ACACNA1G
SCHEMBL19942091 0.74 HTR2C (0.46) HTR2CSMN1; SMN2NPC1RAB9ACACNA1G

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-20130072470-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2013-03-21 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-20130072470-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 HTR2C 1556/4885SMN1; SMN2 3229/4885NPC1 147/4885

“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.