SCHEMBL15522980

SCHEMBL15522980

COc1ccc2c(c1)CN(C(=O)O)CCN2

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 13/20 0.48
MAPK1 P28482 1/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
MMP2 P08253 1/20 0.41
ABHD6 Q9BV23 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
SCHEMBL3149722 0.81 SCN5A (0.49) RYR2MAPK1
SCHEMBL11295872 0.77 ESR1 (0.71) RYR2ESR1ESR2ABHD6
SCHEMBL27379319 0.77 AHR (0.73) KDM4ELMNAGAASMN1; SMN2
SCHEMBL15880544 0.76 ESR1 (0.57) RYR2ESR1ESR2ABHD6
SCHEMBL30677763 0.76 ESR1 (0.57) RYR2ESR1ESR2ABHD6
SCHEMBL2818152 0.75 MAPK1 (0.63) RYR2MAPK1GAASMN1; SMN2
SCHEMBL3428995 0.73 RYR2 (0.83) RYR2
SCHEMBL565913 0.71 DRD2 (0.53) RYR2PDE3BPDE3A
SCHEMBL7563761 0.70 MAPK1 (0.45) MAPK1
SCHEMBL3430812 0.70 RYR2 (0.67) RYR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200283439-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES AbbVie Deutschland GmbH & Co. KG (DE) 2020-09-10 US disclosed
US-20190071443-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES AbbVie Deutschland GmbH & Co. KG (DE) 2019-03-07 US disclosed
US-10118926-B2 Tricyclic quinoline and quinoxaline derivatives AbbVie Deutschland GmbH & Co. KG (DE) 2018-11-06 US disclosed
EP-2895485-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES AbbVie Deutschland GmbH & Co. KG (DE) 2015-07-22 EP disclosed
WO-2014041131-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES AbbVie Deutschland GmbH & Co. KG (DE) 2014-03-20 WO disclosed
US-20140080816-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES AbbVie Deutschland GmbH & Co. KG (DE) 2014-03-20 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 (4 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-20140080816-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES HTR2C, HTR2A, HTR5A RYR2 349/4885MAPK1 2931/4885ESR1 1446/4885
US-20200283439-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES HTR2C, HTR2A, HTR5A RYR2 349/4885MAPK1 2931/4885ESR1 1446/4885
US-10118926-B2 Tricyclic quinoline and quinoxaline derivatives HTR2C, HTR2A, HTR5A RYR2 349/4885MAPK1 2931/4885ESR1 1446/4885
US-20190071443-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES HTR2C, HTR2A, HTR5A RYR2 349/4885MAPK1 2931/4885ESR1 1446/4885

“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.