SCHEMBL4889940

SCHEMBL4889940

O=C(c1c(Cl)cccc1Cl)N1CC2(CCN(CCC(F)(F)F)CC2)c2cc(Cl)ccc21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.47
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
DRD2 P14416 1/20 0.36
RORC P51449 2/20 0.35
OPRM1 P35372 2/20 0.35
XIAP P98170 1/20 0.35
BIRC2 Q13490 1/20 0.35
CYP2D6 P10635 1/20 0.35
KCNK2 O95069 1/20 0.35
TACR1 P25103 1/20 0.35
S1PR1 P21453 1/20 0.34
S1PR5 Q9H228 1/20 0.34

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
SCHEMBL4884630 0.91 NOTUM (0.47) NOTUMHDAC1HDAC6DRD2RORC
SCHEMBL4890619 0.91 NOTUM (0.44) NOTUMHDAC1HDAC6DRD2
SCHEMBL4761920 0.90 NOTUM (0.46) NOTUMHDAC1HDAC6OPRM1S1PR1
SCHEMBL4888879 0.90 OPRM1 (0.41) NOTUMHDAC1HDAC6OPRM1TACR1
SCHEMBL4886704 0.89 NOTUM (0.38) NOTUMHDAC1HDAC6RORCOPRM1
SCHEMBL4893188 0.86 NOTUM (0.43) NOTUMHDAC1HDAC6DRD2
SCHEMBL4892655 0.82 P2RX7 (0.41) NOTUMHDAC1HDAC6OPRM1
SCHEMBL4890954 0.80 P2RX7 (0.40) NOTUMHDAC1HDAC6DRD2OPRM1
SCHEMBL4889960 0.80 OPRM1 (0.41) NOTUMHDAC1HDAC6OPRM1CYP2D6
SCHEMBL4893344 0.80 OPRM1 (0.41) HDAC1HDAC6OPRM1CYP2D6

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 NOTUM 4364/4885HDAC1 418/4885HDAC6 835/4885

“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.