SCHEMBL2810726

SCHEMBL2810726

Fc1ccc2[nH]c3c(c2c1)CN1CCC3CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD3 Q15059 6/20 0.45
HTR2A P28223 10/20 0.44
HTR2C P28335 10/20 0.44
MAPKAPK2 P49137 1/20 0.43
BAZ2B Q9UIF8 1/20 0.42
ACHE P22303 1/20 0.41
ACKR3 P25106 1/20 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
SCHEMBL2813168 0.83 L3MBTL1 (0.47) BAZ2BACHEACKR3
SCHEMBL1989585 0.83 DHODH (0.48) HTR2AHTR2CBAZ2BACKR3
SCHEMBL2814972 0.80 ACKR3 (0.58) BRD3ACKR3
SCHEMBL2814467 0.79 KIF11 (0.43) MAPKAPK2ACKR3
SCHEMBL1991986 0.75
SCHEMBL18557396 0.75 ACKR3 (0.39) BRD3HTR2AHTR2CMAPKAPK2ACKR3
SCHEMBL1989539 0.74 ACKR3 (0.40) ACKR3
SCHEMBL1989383 0.72 NFE2L2 (0.41) HTR2AHTR2CACHEACKR3
SCHEMBL1989385 0.72 NFE2L2 (0.41) HTR2AHTR2CACHEACKR3
SCHEMBL12198083 0.72 ACKR3 (0.56) BRD3ACKR3

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 BRD3 896/4885HTR2A 16/4885HTR2C 22/4885
US-20180024144-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 BRD3 896/4885HTR2A 16/4885HTR2C 22/4885
US-20100087471-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 BRD3 896/4885HTR2A 16/4885HTR2C 22/4885
US-20150353550-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 BRD3 896/4885HTR2A 16/4885HTR2C 22/4885

“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.