SCHEMBL6839704

SCHEMBL6839704

N#Cc1cccc([C@@H]2CCC[C@H]2C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.54
DRD3 P35462 8/20 0.47
DRD2 P14416 7/20 0.47
NOTUM Q6P988 1/20 0.44
USP30 Q70CQ3 1/20 0.42
KMT2A Q03164 1/20 0.41
ALOX5AP P20292 2/20 0.41
TSHR P16473 2/20 0.40
ABCC9 O60706 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
KCNJ8 Q15842 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DGAT1 O75907 1/20 0.40
CYP2D6 P10635 1/20 0.40
NFKB1 P19838 1/20 0.40
CASP1 P29466 1/20 0.40

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
SCHEMBL6839703 1.00 HRH3 (0.54) HRH3DRD3DRD2NOTUMUSP30
SCHEMBL6839707 1.00 HRH3 (0.54) HRH3DRD3DRD2NOTUMUSP30
SCHEMBL7022189 1.00 HRH3 (0.54) HRH3DRD3DRD2NOTUMUSP30
SCHEMBL6842238 0.84 SLC6A2 (0.51) HRH3DRD3DRD2KMT2ATSHR
SCHEMBL7106442 0.84 HRH3 (0.57) HRH3DRD3DRD2NOTUMABCC9
SCHEMBL6170154 0.84 HRH3 (0.57) HRH3DRD3DRD2NOTUMABCC9
SCHEMBL6161764 0.84 HRH3 (0.57) HRH3DRD3DRD2NOTUMABCC9
SCHEMBL1815016 0.79 DRD2 (0.49) HRH3DRD3DRD2NOTUMABCC9
SCHEMBL1815014 0.79 DRD2 (0.49) HRH3DRD3DRD2NOTUMABCC9
SCHEMBL1815012 0.79 DRD2 (0.49) HRH3DRD3DRD2NOTUMABCC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1496361-A Phenyl derivatives 3 Ĭ��ר���ɷ����޹�˾ 2004-05-12 CN disclosed
US-20040082563-A1 Phenyl derivatives 3 MERCK PATENT GMBH (DE) 2004-04-29 US disclosed
EP-1368341-A1 PHENYL DERIVATIVES 3 MERCK PATENT GmbH (DE) 2003-12-10 EP disclosed
WO-2002074765-A1 PHENYL DERIVATIVES 3 MERCK PATENT GMBH (DE) 2002-09-26 WO 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-20040082563-A1 Phenyl derivatives 3 F2, F11, F12 HRH3 1000/4885DRD3 2110/4885DRD2 3363/4885

“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.