SCHEMBL950899

SCHEMBL950899

c1ccc(Cn2c3c(c4ccccc42)CN2CCC3CC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.47
HTR6 P50406 5/20 0.47
KCNH2 Q12809 1/20 0.47
CNR2 P34972 1/20 0.43
CXCR4 P61073 1/20 0.41
S1PR3 Q99500 1/20 0.41
GABRA1 P14867 2/20 0.39
GABRA5 P31644 2/20 0.39
DNM1 Q05193 1/20 0.39
TRPV6 Q9H1D0 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2810996 0.88 HRH1 (0.51) HRH1HTR6KCNH2CNR2S1PR3
SCHEMBL953087 0.81 HTR6 (0.46) HRH1HTR6KCNH2CNR2TRPV6
SCHEMBL2814739 0.78 HRH1 (0.49) HRH1HTR6KCNH2CNR2GABRA1
SCHEMBL2811273 0.74 MCHR1 (0.51) KCNH2KDM4E
SCHEMBL2814192 0.74 DRD3 (0.43) KCNH2
SCHEMBL8040964 0.72 HTR6 (0.82) HRH1HTR6KCNH2KDM4E
SCHEMBL2815106 0.70 DRD2 (0.47) HRH1HTR6KDM4ESMN1; SMN2
SCHEMBL8039564 0.70 HTR6 (0.71) HRH1HTR6KCNH2
SCHEMBL24142608 0.69 HRH1 (0.76) HRH1KCNH2KDM4E
SCHEMBL15133091 0.69 MCHR1 (0.43) KDM4E

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 17 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
EP-2344505-A2 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF Abbott Laboratories (US) 2011-07-20 EP claimed
WO-2011008312-A2 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-01-20 WO 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
WO-2010036998-A2 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-04-01 WO 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
EP-2344505-A2 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF Abbott Laboratories (US) 2011-07-20 EP disclosed
WO-2011008312-A2 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-01-20 WO 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
WO-2010036998-A2 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-04-01 WO 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 21/4885KCNH2 1404/4885
US-20180024144-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 HRH1 457/4885HTR6 21/4885KCNH2 1404/4885
US-20100087471-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 HRH1 457/4885HTR6 21/4885KCNH2 1404/4885
US-20150353550-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 HRH1 457/4885HTR6 21/4885KCNH2 1404/4885

“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.