SCHEMBL606928

SCHEMBL606928

COC1CCC(CC(=O)O)C1.[KH]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 5/20 0.37
SLC6A11 P48066 5/20 0.37
SLC6A13 Q9NSD5 5/20 0.37
SLC6A1 P30531 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA1 P14867 1/20 0.37
GABRR1 P24046 1/20 0.37
GABRA4 P48169 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ANPEP P15144 1/20 0.36
ENPEP Q07075 1/20 0.36
ACSL1 P33121 1/20 0.32
GRM1 Q13255 1/20 0.32
HSD11B1 P28845 1/20 0.31
DRD2 P14416 5/20 0.31
HTR2A P28223 5/20 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
SCHEMBL15859443 1.00 SLC6A12 (0.37) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL607192 0.88 ANPEP (0.42) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL322740 0.86 ANPEP (0.43) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL322739 0.86 ANPEP (0.43) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
Potassium SCHEMBL607194 0.84 ANPEP (0.42) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL17928472 0.84 SLC6A12 (0.38) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL6180497 0.82 GRM1 (0.32) GRM1DRD2HTR2ADRD3EPHX2
Hydrochloric Acid SCHEMBL1860705 0.82 ANPEP (0.41) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
Hydrochloric Acid SCHEMBL1710560 0.82 ANPEP (0.41) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL1967077 0.81 DPP4 (0.33) TDP1GRM1HSD11B1DRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829029-B2 Dual modulators of 5HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2014-09-09 US disclosed
EP-2183245-B1 DUAL MODULATORS OF 5-HT2A AND D3 RECEPTORS HOFFMANN LA ROCHE (CH) 2014-07-09 EP disclosed
US-20130165432-A1 Dual Modulators of 5HT2A and D3 Receptors HOFFMANN-LA ROCHE INC. (US) 2013-06-27 US disclosed
US-20120040972-A1 DUAL MODULATORS OF 5HT2A AND D3 RECEPTORS GOBBI LUCA (CH) 2012-02-16 US disclosed
US-20090029977-A1 DUAL MODULATORS OF 5HT2A AND D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 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 (3 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-20130165432-A1 Dual Modulators of 5HT2A and D3 Receptors HTR2A, HTR3A, HTR1A SLC6A12 1961/4885SLC6A11 845/4885SLC6A13 635/4885
US-20120040972-A1 DUAL MODULATORS OF 5HT2A AND D3 RECEPTORS HTR2A, HTR3A, HTR1A SLC6A12 1961/4885SLC6A11 845/4885SLC6A13 635/4885
US-20090029977-A1 DUAL MODULATORS OF 5HT2A AND D3 RECEPTORS HTR2A, HTR3A, HTR1A SLC6A12 1961/4885SLC6A11 845/4885SLC6A13 635/4885

“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.