SCHEMBL2814739

SCHEMBL2814739

c1cncc(Cn2c3c(c4ccccc42)CN2CCC3CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.49
HTR6 P50406 1/20 0.49
GUSB P08236 1/20 0.47
CNR2 P34972 1/20 0.45
TBXA2R P21731 1/20 0.43
SRC P12931 1/20 0.42
CHRNB2 P17787 2/20 0.42
CHRNA4 P43681 2/20 0.42
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
TRPV6 Q9H1D0 2/20 0.41
GABRA1 P14867 1/20 0.41
GABRA5 P31644 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL2815061 0.87 TBXA2R (0.58) HRH1CNR2TBXA2RSRCLMNA
SCHEMBL953087 0.86 HTR6 (0.46) HRH1HTR6CNR2TBXA2RTRPV6
SCHEMBL2811273 0.79 MCHR1 (0.51) KDM4EKCNH2
SCHEMBL950899 0.78 HRH1 (0.47) HRH1HTR6CNR2TRPV6GABRA1
SCHEMBL4127989 0.73 HRH1 (0.83) HRH1HTR6KDM4EMEN1LMNA
SCHEMBL2812789 0.72 HRH1 (0.48) HRH1HTR6TBXA2R
SCHEMBL6031350 0.71 TBXA2R (0.49) HRH1HTR6CNR2TBXA2RKDM4E
SCHEMBL8033028 0.71 HRH1 (0.72) HRH1HTR6KDM4EMEN1LMNA
SCHEMBL24142362 0.71 ALDH1A1 (0.52) HRH1TRPV6GABRA1GABRA5POLB
SCHEMBL6031159 0.70 TBXA2R (0.44) HRH1HTR6GUSBCNR2TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9625475-B2 Indole and indoline derivatives and methods of use thereof ABBVIE INC. (US) 2017-04-18 US claimed
US-20150353550-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBVIE INC (US) 2015-12-10 US claimed
US-20100249105-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-09-30 US claimed
US-20100087471-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-04-08 US claimed
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 HRH1 457/4885HTR6 21/4885GUSB 1354/4885
US-20180024144-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 HRH1 457/4885HTR6 21/4885GUSB 1354/4885
US-20100087471-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 HRH1 457/4885HTR6 21/4885GUSB 1354/4885
US-20150353550-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 HRH1 457/4885HTR6 21/4885GUSB 1354/4885

“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.