SCHEMBL4889960

SCHEMBL4889960

O=C(c1c(C(F)(F)F)cccc1C(F)(F)F)N1CC2(CCN(CCC(F)(F)F)CC2)c2cc(C(F)(F)F)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.41
NOTUM Q6P988 1/20 0.38
OPRL1 P41146 4/20 0.38
FFAR1 O14842 1/20 0.38
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
FPR2 P25090 1/20 0.35
ABCB11 O95342 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
THPO P40225 1/20 0.35
MTOR P42345 1/20 0.35
EBP Q15125 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
IDO1 P14902 1/20 0.35

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
SCHEMBL4887335 0.94 NOTUM (0.39) OPRM1NOTUMOPRL1FFAR1HDAC1
SCHEMBL4893344 0.90 OPRM1 (0.41) OPRM1OPRL1FFAR1HDAC1HDAC6
SCHEMBL4761920 0.90 NOTUM (0.46) OPRM1NOTUMOPRL1HDAC1HDAC6
SCHEMBL4888879 0.90 OPRM1 (0.41) OPRM1NOTUMOPRL1FFAR1HDAC1
SCHEMBL4888898 0.85 OPRM1 (0.39) OPRM1OPRL1FFAR1HDAC1HDAC6
SCHEMBL4892655 0.84 P2RX7 (0.41) OPRM1NOTUMOPRL1FFAR1HDAC1
SCHEMBL4893251 0.83 P2RY1 (0.36) OPRM1NOTUMOPRL1FFAR1HDAC1
SCHEMBL4886704 0.82 NOTUM (0.38) OPRM1NOTUMOPRL1FFAR1HDAC1
Trifluoroacetic Acid SCHEMBL4761896 0.80 OPRM1 (0.36) OPRM1OPRL1HDAC1HDAC6SIGMAR1
SCHEMBL4889940 0.80 NOTUM (0.47) OPRM1NOTUMHDAC1HDAC6CYP2D6

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-20080200491-A1 1,2-Dihydro-Spiro[3H-Indole-3,4'-Piperidine] Compounds, as Modulators of the Mas Receptor Novel ARENA PHARMACEUTICALS, INC. 2008-08-21 US claimed
US-20080200491-A1 1,2-Dihydro-Spiro[3H-Indole-3,4'-Piperidine] Compounds, as Modulators of the Mas Receptor Novel ARENA PHARMACEUTICALS, INC. 2008-08-21 US disclosed
US-20080200491-A1 1,2-Dihydro-Spiro[3H-Indole-3,4'-Piperidine] Compounds, as Modulators of the Mas Receptor Novel ARENA PHARMACEUTICALS, INC. 2008-08-21 US disclosed
US-20080200491-A1 1,2-Dihydro-Spiro[3H-Indole-3,4'-Piperidine] Compounds, as Modulators of the Mas Receptor Novel ARENA PHARMACEUTICALS, INC. 2008-08-21 US disclosed
WO-2007002114-A1 1,2-DIHYDRO-SPIRO(3H-INDOLE-3-4’-PIPERIDINE) COMPOUNDS AS MODULATORS OF THE MAS RECEPTOR NOVEL ARENA PHARMACEUTICALS, INC. (US) 2007-01-04 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-20080200491-A1 1,2-Dihydro-Spiro[3H-Indole-3,4'-Piperidine] Compounds, as Modulators of the Mas Receptor Novel AGTR1, AGTR2, AVPR2 OPRM1 343/4885NOTUM 4364/4885OPRL1 157/4885

“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.