SCHEMBL2192104

SCHEMBL2192104

Cc1ccc2c(c1)C1(COc3cc4c(cc31)OC(C(c1ccccc1)c1ccccc1)O4)C(=O)N2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.43
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.35
ALDH1A1 P00352 3/20 0.34
GAA P10253 2/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BRD4 O60885 3/20 0.32
CREBBP Q92793 3/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALOX12 P18054 1/20 0.32
XBP1 P17861 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL280653 0.79 ALDH1A1 (0.50) SCN9ACYP1A2POLBCYP3A4CYP2C19
SCHEMBL3332481 0.79 SCN9A (0.46) SCN9ACYP1A2POLBCYP3A4CYP2C19
SCHEMBL10288973 0.75 SCN9A (0.46) SCN9ACYP1A2POLBCYP3A4CYP2C19
SCHEMBL15263800 0.72 SMN1; SMN2 (0.36) SCN9AALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL3331059 0.69 SCN9A (0.51) SCN9APOLBCYP3A4CYP2C19ALDH1A1
SCHEMBL2310507 0.68 SCN9A (0.61) SCN9APOLBCYP3A4CYP2C19ALDH1A1
SCHEMBL2304747 0.68 SCN9A (0.58) SCN9APOLBALDH1A1GAALMNA
SCHEMBL385128 0.68 SCN9A (0.58) SCN9APOLBALDH1A1GAALMNA
SCHEMBL280646 0.68 SCN9A (0.58) SCN9ACYP1A2POLBCYP3A4CYP2C19
SCHEMBL3326929 0.68 SCN9A (0.58) SCN9APOLBALDH1A1GAALMNA

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
US-8466188-B2 Use of spiro-oxindole compounds as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2013-06-18 US disclosed
US-20110172282-A9 USE OF SPIRO-OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2011-07-14 US disclosed
US-20100173967-A1 USE OF SPIRO-OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-07-08 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 (2 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-20110172282-A9 USE OF SPIRO-OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS KLK3, REN, AVPR1B SCN9A 2100/4885CYP1A2 589/4885POLB 1684/4885
US-20100173967-A1 USE OF SPIRO-OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS KLK3, REN, AVPR1B SCN9A 2100/4885CYP1A2 589/4885POLB 1684/4885

“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.