SCHEMBL743056

SCHEMBL743056

CC(=O)Oc1ccc2[nH]cc3c2c1C(C)N(C(=O)O)CC3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
TSHR P16473 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
DRD2 P14416 4/20 0.34
DRD1 P21728 3/20 0.34
PDE4D Q08499 2/20 0.33
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
DRD3 P35462 1/20 0.32
HTR2A P28223 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 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
SCHEMBL2001697 0.65 PRKAB2 (0.33) HTR2A
SCHEMBL29210560 0.65 DRD2 (0.46) MAOAMTNR1BSMN1; SMN2DRD2DRD1
SCHEMBL29210527 0.62 ALDH1A1 (0.39) TSHRSMN1; SMN2DRD2DRD1PDE4D
SCHEMBL29210621 0.62 DRD2 (0.38) MTNR1AMTNR1BSMN1; SMN2DRD2DRD1
SCHEMBL29210553 0.61 MAPK1 (0.34) MAOASMN1; SMN2DRD2DRD1PDE4D
SCHEMBL21465733 0.60 DRD1 (0.60) MTNR1BDRD1NPC1POLB
SCHEMBL30878500 0.60 DRD1 (0.60) MTNR1BDRD1NPC1POLB
SCHEMBL28027130 0.60 SLC22A6 (0.45) MTNR1AMTNR1BTSHRSLC22A6NPC1
SCHEMBL4873160 0.59 P2RX7 (0.35) SMN1; SMN2DRD1NPC1POLB
SCHEMBL28449155 0.58 KMT2A (0.40) DRD2DRD1DRD4DRD5DRD3

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-8138333-B2 Sulfonyl-indole derivatives PROXIMAGEN LIMITED (GB) 2012-03-20 US disclosed
US-20080293694-A1 New compounds BIOVITRUM AB (PUBL.) (SE) 2008-11-27 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-20080293694-A1 New compounds HTR6, HTR1A, HTR1B MAOA 187/4885MTNR1A 72/4885MTNR1B 56/4885

“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.