SCHEMBL5578770

SCHEMBL5578770

O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC2(CCN(CC3CC3)CC2)c2cc(F)ccc21

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.42
OPRL1 P41146 2/20 0.42
OPRK1 P41145 1/20 0.42
TSHR P16473 3/20 0.40
CYP2C9 P11712 1/20 0.40
USP2 O75604 5/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CRHR1 P34998 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPY2R P49146 1/20 0.39
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL5579045 0.92 OPRM1 (0.44) OPRM1OPRL1OPRK1CRHR1CYP3A4
SCHEMBL5578684 0.89 HDAC1 (0.47) OPRM1OPRL1OPRK1TSHRCYP2C9
SCHEMBL5578544 0.88 SIGMAR1 (0.47) OPRM1OPRL1OPRK1DRD2HTR2A
SCHEMBL5578622 0.87 OPRM1 (0.43) OPRM1OPRL1OPRK1DRD2HTR2A
SCHEMBL5579306 0.86 HDAC1 (0.48) OPRM1OPRL1OPRK1DRD2HTR2A
SCHEMBL5578717 0.86 OPRM1 (0.40) OPRM1OPRL1OPRK1DRD2HTR2A
SCHEMBL5578998 0.85 OPRM1 (0.44) OPRM1OPRL1OPRK1TSHRUSP2
SCHEMBL5578473 0.85 OPRM1 (0.44) OPRM1OPRL1OPRK1DRD2HTR2A
SCHEMBL5578629 0.85 TSHR (0.40) TSHRCYP2C9USP2SMN1; SMN2CYP3A4
SCHEMBL5579018 0.85 OPRM1 (0.43) OPRM1OPRL1OPRK1DRD2HTR2A

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
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
WO-2005063745-A9 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARM INC (US) 2007-02-01 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-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof REN, AVPR2, RECQL OPRM1 630/4885OPRL1 240/4885OPRK1 131/4885

“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.