SCHEMBL2814972

SCHEMBL2814972

c1ccc2c3c([nH]c2c1)C1CCN(CC1)C3

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.58
ADRA1D P25100 2/20 0.51
ADRA1A P35348 2/20 0.51
ADRA1B P35368 2/20 0.51
BRD3 Q15059 1/20 0.46
XDH P47989 2/20 0.45
CHRNA7 P36544 2/20 0.45
RB1 P06400 3/20 0.44
AURKA O14965 1/20 0.44
OPRM1 P35372 1/20 0.44
SIRT1 Q96EB6 1/20 0.43
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43
DRD5 P21918 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL12198083 0.90 ACKR3 (0.56) ACKR3ADRA1DADRA1AADRA1BBRD3
SCHEMBL2810726 0.80 BRD3 (0.45) ACKR3BRD3
SCHEMBL1989585 0.80 DHODH (0.48) ACKR3AURKASIRT1KDM4E
SCHEMBL1989539 0.80 ACKR3 (0.40) ACKR3ADRA1DADRA1AADRA1B
SCHEMBL2813168 0.80 L3MBTL1 (0.47) ACKR3SIRT1KDM4E
SCHEMBL1992479 0.75 NISCH (0.44) ACKR3CHRNA7AURKAKDM4E
SCHEMBL2810212 0.75 HTR2A (0.47) ACKR3ADRA1DADRA1AADRA1BBRD3
SCHEMBL2814467 0.74 KIF11 (0.43) ACKR3SIRT1KDM4E
SCHEMBL18557396 0.72 ACKR3 (0.39) ACKR3ADRA1DADRA1AADRA1BBRD3
SCHEMBL1993492 0.72 SIGMAR1 (0.41) DRD2

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 ACKR3 1117/4885ADRA1D 177/4885ADRA1A 284/4885
US-20180024144-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 ACKR3 1117/4885ADRA1D 177/4885ADRA1A 284/4885
US-20100087471-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 ACKR3 1117/4885ADRA1D 177/4885ADRA1A 284/4885
US-20150353550-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 ACKR3 1117/4885ADRA1D 177/4885ADRA1A 284/4885

“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.