SCHEMBL436858

SCHEMBL436858

CC(C)CC(C)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.50
SLC6A3 Q01959 4/20 0.44
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
C3AR1 Q16581 1/20 0.43
TSHR P16473 4/20 0.41
MAPK1 P28482 3/20 0.41
HIF1A Q16665 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TP53 P04637 2/20 0.40
CYP3A4 P08684 2/20 0.40
ALOX15 P16050 2/20 0.40
AKT1 P31749 1/20 0.40
LMNA P02545 3/20 0.39
HPGD P15428 1/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
HTR2A P28223 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
SCHEMBL1990200 0.82 ADRB2 (0.46) ADRB2SLC6A3SLC6A2SLC6A4C3AR1
SCHEMBL5109245 0.80 ADRB2 (0.45) ADRB2SLC6A3SLC6A2SLC6A4C3AR1
Hydrochloric Acid SCHEMBL4498923 0.79 ADRB2 (0.48) ADRB2SLC6A3SLC6A2SLC6A4TSHR
SCHEMBL10192291 0.78 ADRB2 (0.52) ADRB2SLC6A3SLC6A2C3AR1TSHR
SCHEMBL19392447 0.78 ACHE (0.53) SLC6A3SLC6A2SLC6A4TDP1TRPA1
SCHEMBL2931566 0.78 ADRB2 (0.52) ADRB2SLC6A3SLC6A2SLC6A4C3AR1
SCHEMBL2632879 0.78 ADRB2 (0.52) ADRB2SLC6A3SLC6A2C3AR1TSHR
SCHEMBL14705838 0.78 ADRB2 (0.52) ADRB2SLC6A3SLC6A2C3AR1TSHR
SCHEMBL13995177 0.77 ADRB2 (0.58) ADRB2SLC6A3SLC6A2SLC6A4TSHR
SCHEMBL12243879 0.77 AOC3 (0.53) ADRB2SLC6A3SLC6A2SLC6A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101778850-A Heteroaryl amide analogs LUNDBECK & CO AS H 2010-07-14 CN claimed
WO-2023086800-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE VIGIL NEUROSCIENCE, INC. (US) 2023-05-19 WO disclosed
WO-2023086801-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE VIGIL NEUROSCIENCE, INC. (US) 2023-05-19 WO disclosed
WO-2017127528-A1 PEPTOID AGONISTS OF FIBROBLAST GROWTH RECEPTORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-07-27 WO disclosed
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
US-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME AERIE PHARMACEUTICALS, INC. 2012-05-31 US disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
CN-101711245-A 5-membered heterocyclic amides and related compounds NEUROGEN CORP 2010-05-19 CN 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 (2 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-20120135984-A1 DUAL-ACTION INHBITORS AND METHODS OF USING SAME SLC6A2, ROCK2, SLC6A4 ADRB2 575/4885SLC6A3 15/4885SLC6A2 1/4885
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS NR3C1, NR3C2, CRH ADRB2 103/4885SLC6A3 603/4885SLC6A2 281/4885

“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.