SCHEMBL2810244

SCHEMBL2810244

Cc1ccc2[nH]c3c(c2c1)CN1CCCC3C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 3/20 0.45
GAA P10253 1/20 0.45
CASP6 P55212 1/20 0.45
RECQL P46063 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.42
PRMT5 O14744 2/20 0.42
PTGES O14684 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ACHE P22303 3/20 0.40
GRIN1 Q05586 3/20 0.40
GRIN2A Q12879 3/20 0.40
GRIN2D O15399 2/20 0.40
GRIN3B O60391 2/20 0.40
GRIN2B Q13224 2/20 0.40
GRIN2C Q14957 2/20 0.40

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
SCHEMBL26837314 0.89 SIRT1 (0.50) SIRT1GAACASP6RECQLSIRT2
SCHEMBL2813168 0.84 L3MBTL1 (0.47) SIRT1GAACASP6RECQLSIRT2
SCHEMBL26837263 0.79 SIRT1 (0.39) SIRT1GAACASP6RECQLSIRT2
SCHEMBL18557396 0.76 ACKR3 (0.39)
SCHEMBL1446222 0.74 MCHR1 (0.48) SIRT1L3MBTL1KDM4EALDH1A1LMNA
SCHEMBL12198083 0.74 ACKR3 (0.56) SIRT1KDM4E
SCHEMBL26837331 0.73 ADRA1D (0.38) SIRT1KIF11
SCHEMBL26675944 0.73 SIRT1 (0.50) SIRT1KIF11
SCHEMBL26837259 0.73 ALOX15 (0.51) SIRT1SIRT2LMNAKIF11
SCHEMBL29736188 0.73 MAPKAPK2 (0.54) SIRT1RECQLKDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9983218-B2 Indole and indoline derivatives and methods of use thereof ABBVIE INC. (US) 2018-05-29 US disclosed
US-20180024144-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBVIE INC. (US) 2018-01-25 US disclosed
US-9625475-B2 Indole and indoline derivatives and methods of use thereof ABBVIE INC. (US) 2017-04-18 US disclosed
US-20150353550-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBVIE INC (US) 2015-12-10 US disclosed
US-9063126-B2 Indole and indoline derivatives and methods of use thereof ABBVIE INC. (US) 2015-06-23 US disclosed
US-20100249105-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-09-30 US disclosed
US-20100087471-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-04-08 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 (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-20100249105-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 SIRT1 1054/4885GAA 3876/4885CASP6 3156/4885
US-20180024144-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 SIRT1 1054/4885GAA 3876/4885CASP6 3156/4885
US-20100087471-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 SIRT1 1054/4885GAA 3876/4885CASP6 3156/4885
US-20150353550-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 SIRT1 1054/4885GAA 3876/4885CASP6 3156/4885

“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.