SCHEMBL934084

SCHEMBL934084

CN1C2CCCC1C(=O)C2

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.61
CHRM2 P08172 3/20 0.34
CHRM4 P08173 3/20 0.34
CHRM1 P11229 3/20 0.34
CHRM3 P20309 3/20 0.34
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL7967958 0.88
SCHEMBL551145 0.76 MAPK1 (1.00) MAPK1CHRM2CHRM4CHRM1CHRM3
SCHEMBL13908059 0.76 MAPK1 (1.00) MAPK1CHRM2CHRM4CHRM1CHRM3
Hydrochloric Acid SCHEMBL934612 0.74 MAPK1 (0.95) MAPK1CHRM2CHRM4CHRM1CHRM3
SCHEMBL7250299 0.74 MAPK1 (0.42) MAPK1GSK3AGSK3B
SCHEMBL7321129 0.68 MAPK1 (0.45) MAPK1CHRM2CHRM4CHRM1CHRM3
SCHEMBL7321131 0.68 MAPK1 (0.45) MAPK1CHRM2CHRM4CHRM1CHRM3
SCHEMBL19799174 0.68 KCNH2 (0.36) MAPK1SLC6A4SLC6A3SIGMAR1
SCHEMBL17966147 0.68 KCNH2 (0.36) MAPK1SLC6A4SLC6A3SIGMAR1
SCHEMBL10610010 0.68 KCNH2 (0.36) MAPK1SLC6A4SLC6A3SIGMAR1

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 12 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-20150148541-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS Astraea Therapeutics (US) 2015-05-28 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
US-6632823-B1 Substituted pyridine compounds useful as modulators of acetylcholine receptors MERCK & CO., INC. 2003-10-14 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 (5 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 MAPK1 4324/4885CHRM2 7/4885CHRM4 47/4885
US-20180024144-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 MAPK1 4324/4885CHRM2 7/4885CHRM4 47/4885
US-20100087471-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 MAPK1 4324/4885CHRM2 7/4885CHRM4 47/4885
US-20150353550-A1 INDOLE AND INDOLINE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 MAPK1 4324/4885CHRM2 7/4885CHRM4 47/4885
US-20150148541-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS CHRNA3, CHRNA4, CHRNA2 MAPK1 2660/4885CHRM2 24/4885CHRM4 17/4885

“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.