SCHEMBL13610490

SCHEMBL13610490

CC(C)(C)OC(=O)N1CCC(C(=O)N=N)(c2ccccc2Br)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
ALOX15 P16050 1/20 0.45
ATM Q13315 1/20 0.45
GPR119 Q8TDV5 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
PDK2 Q15119 1/20 0.40
KDM1A O60341 2/20 0.39
TACR1 P25103 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
CYP11B2 P19099 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 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
SCHEMBL29572732 0.86 TSHR (0.51) TSHRALOX15ATMGPR119HDAC1
SCHEMBL4357496 0.86 TSHR (0.51) TSHRALOX15ATMGPR119HDAC1
SCHEMBL13602794 0.86 TSHR (0.43) TSHRALOX15ATMGPR119HDAC1
SCHEMBL25001163 0.85 TSHR (0.50) TSHRALOX15ATMGPR119HDAC1
SCHEMBL3249164 0.81 GPR119 (0.47) TSHRALOX15ATMGPR119HDAC1
SCHEMBL6887962 0.80 GPR119 (0.49) TSHRALOX15ATMGPR119HDAC1
SCHEMBL4357499 0.77 TSHR (0.42) TSHRALOX15ATMGPR119HDAC1
SCHEMBL29446735 0.77 GPR119 (0.44) TSHRALOX15ATMGPR119HDAC1
SCHEMBL4362609 0.77 GPR119 (0.44) TSHRALOX15ATMGPR119HDAC1
SCHEMBL11919535 0.77 GPR119 (0.44) TSHRALOX15ATMGPR119HDAC1

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-7629353-B2 Indol-3-yl-carbonyl-spiro-piperidine derivatives as V1a receptor antagonists HOFFMAN-LA ROCHE INC. (US) 2009-12-08 US disclosed
US-20080146557-A1 INDOL-3-YL-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS VIa RECEPTOR ANTAGONISTS BISSANTZ CATERINA 2008-06-19 US disclosed
US-7332501-B2 Indol-3-yl-carbonyl-spiro-piperidine derivatives as V1a receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2008-02-19 US disclosed
US-20070027173-A1 Indol-3-yl-carbonyl-spiro-piperidine derivatives as Vla receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2007-02-01 US 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-20070027173-A1 Indol-3-yl-carbonyl-spiro-piperidine derivatives as Vla receptor antagonists AVPR1A, AVPR2, AVPR1B TSHR 89/4885ALOX15 1974/4885ATM 4738/4885
US-20080146557-A1 INDOL-3-YL-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS VIa RECEPTOR ANTAGONISTS AVPR1A, AVPR2, OXTR TSHR 73/4885ALOX15 3850/4885ATM 4417/4885

“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.