SCHEMBL6670085

SCHEMBL6670085

O=C(O)N1CCC2Oc3ccc(Br)cc3C2C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
CCR1 P32246 2/20 0.36
PTGDR Q13258 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
AKR1B1 P15121 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL3 Q96JM7 2/20 0.32
HCRTR2 O43614 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
THRB P10828 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL4 Q8NA19 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL8535309 0.83 PBRM1 (0.35) OPRM1CCR1ALDH1A1PKMKMT2A
SCHEMBL6669632 0.83 USP30 (0.46) THRB
SCHEMBL6648136 0.81 F11 (0.38) OPRM1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL6669412 0.76 MGLL (0.43) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL25174157 0.74 OPRM1 (0.44) OPRM1DRD2DRD3PTGDR2ALDH1A1
SCHEMBL1806680 0.73 DRD2 (0.46) DRD2DRD3PTGDRPTGDR2ALDH1A1
SCHEMBL1806682 0.73 DRD2 (0.46) DRD2DRD3PTGDRPTGDR2ALDH1A1
SCHEMBL1806683 0.73 DRD2 (0.46) DRD2DRD3PTGDRPTGDR2ALDH1A1
SCHEMBL2599058 0.73 DRD2 (0.46) DRD2DRD3PTGDRPTGDR2ALDH1A1
SCHEMBL6217421 0.72 MEN1 (0.40) PTGDRPTGDR2ALDH1A1PKMKMT2A

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-20040214815-A1 Therapeutic compounds PHARMACIA & UPJOHN COMPANY 2004-10-28 US disclosed
US-6762191-B2 TREATING DISEASES FOR MODULATING OF 5-HT ACTIVITY, CENTRAL NERVOUS SYSTEM DISORDERS, ANXIETY, OBESITY, DEPRESSION, OR A STRESS-RELATED DISEASE PHARMACIA & UPJOHN COMPANY 2004-07-13 US disclosed
EP-1404679-A2 (HETERO)ARYL SUBSTITUTED BENZOFURANS AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2004-04-07 EP disclosed
US-20030050304-A1 Therapeutic compounds PHARMACIA & UPJOHN COMPANY 2003-03-13 US disclosed
WO-2003004501-A2 (HETERO) ARYL SUBSTITUTED BENZOFURANS AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2003-01-16 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 (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-20040214815-A1 Therapeutic compounds HTR5A, HTR6, HTR1A OPRM1 15/4885DRD2 60/4885DRD3 67/4885
US-20030050304-A1 Therapeutic compounds HTR5A, HTR6, HTR1A OPRM1 15/4885DRD2 60/4885DRD3 67/4885

“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.