SCHEMBL7085659

SCHEMBL7085659

C=CCC1CCCc2sc(N)nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.43
NOS2 P35228 4/20 0.43
DRD3 P35462 5/20 0.38
MAPT P10636 4/20 0.38
DRD2 P14416 4/20 0.38
ADRA2A P08913 3/20 0.38
LMNA P02545 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
HTR2A P28223 2/20 0.38
ADRA1A P35348 2/20 0.38
HRH1 P35367 2/20 0.38
OPRK1 P41145 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAD52 P43351 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
NOS3 P29474 2/20 0.36

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
SCHEMBL2043050 0.81 APOBEC3A (0.42) DRD3MAPTDRD2ADRA2ALMNA
SCHEMBL2038639 0.80 APOBEC3A (0.41) DRD3MAPTDRD2ADRA2ALMNA
SCHEMBL11972116 0.80 APOBEC3A (0.41) NOS1NOS2DRD3MAPTDRD2
SCHEMBL3536970 0.76 NOS1 (0.33) NOS1NOS2
SCHEMBL12644103 0.76 APOBEC3A (0.38) DRD3MAPTDRD2ADRA2AADRA2B
SCHEMBL17609967 0.75 DRD3 (0.38) NOS1NOS2DRD3DRD2ADRA2A
SCHEMBL11972364 0.75 ADRB3 (0.37) MAPTAPOBEC3AAPOBEC3GGAAHSD17B10
SCHEMBL2037898 0.74 APOBEC3A (0.44) DRD3MAPTDRD2ADRA2ALMNA
SCHEMBL14906838 0.74 APOBEC3A (0.36) DRD3MAPTDRD2ADRA2AADRA2B
Formic Acid SCHEMBL3542174 0.73 NOS1 (0.31) NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6770761-B2 BROMINATION OF 1,4-CYCLOHEXANEDIONE BY BROMINE IN AN ALCOHOLIC SOLVENT; TREATMENT WITH THIOUREA OR N-ACYLTHIOUREA; ISOMERIZATION, CYCLIZATION; PRAMIPEXOLE SYNTHESIS SYNTHON BV (NL) 2004-08-03 US disclosed
US-20040029936-A1 Process for preparation of 2-amino-6 (alkyl) amino-4,5,6,7-tetrahydrobenzothiazoles SYNTHON IP INC. 2004-02-12 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 (1 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-20040029936-A1 Process for preparation of 2-amino-6 (alkyl) amino-4,5,6,7-tetrahydrobenzothiazoles PAH, HTR6, HTR4 NOS1 1529/4885NOS2 1162/4885DRD3 676/4885

“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.