SCHEMBL4886704

SCHEMBL4886704

CC(C)(C)c1ccc2c(c1)C1(CCN(CCC(F)(F)F)CC1)CN2C(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TACR1 P25103 1/20 0.36
OPRM1 P35372 3/20 0.35
RORC P51449 1/20 0.35
MDM2 Q00987 1/20 0.35
FFAR1 O14842 1/20 0.35
OPRL1 P41146 2/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
P2RY1 P47900 1/20 0.34
KCNH2 Q12809 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
SCHEMBL4888879 0.93 OPRM1 (0.41) NOTUMHDAC1HDAC6TACR1OPRM1
SCHEMBL4890954 0.91 P2RX7 (0.40) NOTUMHDAC1HDAC6OPRM1MDM2
SCHEMBL4893251 0.90 P2RY1 (0.36) NOTUMHDAC1HDAC6OPRM1RORC
SCHEMBL4887335 0.89 NOTUM (0.39) NOTUMHDAC1HDAC6OPRM1FFAR1
SCHEMBL4889940 0.89 NOTUM (0.47) NOTUMHDAC1HDAC6TACR1OPRM1
Trifluoroacetic Acid SCHEMBL4761896 0.87 OPRM1 (0.36) HDAC1HDAC6TACR1OPRM1OPRL1
SCHEMBL4891670 0.86 NOTUM (0.35) NOTUMHDAC1HDAC6OPRM1MDM2
SCHEMBL4890886 0.85 ATM (0.36) NOTUMHDAC1HDAC6OPRM1FFAR1
SCHEMBL4891915 0.84 TACR1 (0.38) HDAC1HDAC6TACR1OPRM1P2RY1
SCHEMBL4892655 0.84 P2RX7 (0.41) NOTUMHDAC1HDAC6OPRM1FFAR1

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.