SCHEMBL120959

SCHEMBL120959

C=CCOC(=O)N1CCc2cc(CO)ccc2C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 6/20 0.50
SIGMAR1 Q99720 6/20 0.50
ESR2 Q92731 1/20 0.43
MAP3K5 Q99683 1/20 0.42
ERN1 O75460 4/20 0.41
F10 P00742 2/20 0.41
PLG P00747 2/20 0.41
F2 P00734 1/20 0.41
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
PRMT5 O14744 3/20 0.40
WDR77 Q9BQA1 3/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
ABHD6 Q9BV23 1/20 0.40
SLC6A15 Q9H2J7 1/20 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
SCHEMBL2177564 0.80 ABHD6 (0.50) TMEM97SIGMAR1ESR2MAP3K5ABHD6
SCHEMBL30055666 0.80 TMEM97 (0.47) TMEM97SIGMAR1ESR2LMNAABHD6
SCHEMBL120960 0.78 ESR2 (0.45) TMEM97SIGMAR1ESR2ABHD6
SCHEMBL20570860 0.78 MAP3K5 (0.51) TMEM97SIGMAR1MAP3K5ERN1F10
SCHEMBL29407529 0.78 ESR2 (0.70) TMEM97SIGMAR1ESR2MAPK1RAB9A
SCHEMBL168265 0.78 ESR2 (0.70) TMEM97SIGMAR1ESR2MAPK1RAB9A
SCHEMBL16634622 0.77 NAMPT (0.49) TMEM97SIGMAR1ESR2RAB9A
SCHEMBL20571487 0.77 MAP3K5 (0.51) TMEM97SIGMAR1MAP3K5ERN1F10
SCHEMBL7850845 0.76 NR1H2 (0.49) TMEM97SIGMAR1ESR2RAB9AABHD6
SCHEMBL20571794 0.75 MAP3K5 (0.53) TMEM97SIGMAR1MAP3K5ERN1F10

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
EP-2424861-A1 INDOLE-2-CARBOXAMIDE DERIVATIVE MSD K.K. (JP) 2012-03-07 EP disclosed
US-20120035155-A1 INDOLE-2-CARBOXAMIDE DEIVATIVE MSD K.K. (JP) 2012-02-09 US disclosed
WO-2010126164-A1 INDOLE-2-CARBOXAMIDE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-11-04 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-20120035155-A1 INDOLE-2-CARBOXAMIDE DEIVATIVE HTR1F, HTR3C, HTR6 TMEM97 497/4885SIGMAR1 82/4885ESR2 1065/4885

“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.