SCHEMBL5373313

SCHEMBL5373313

CC(C)(C)OC(=O)N1CCc2[nH]c3ccc(N)cc3c2CC1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BAZ2B Q9UIF8 11/20 0.63
▸ NR1H2 P55055 1/20 0.53
▸ LMNA P02545 1/20 0.48
▸ PABPC1 P11940 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TRPV1 Q8NER1 3/20 0.47
▸ F12 P00748 3/20 0.45
▸ BRD3 Q15059 1/20 0.43

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
SCHEMBL16140457 0.92 BAZ2B (0.71) BAZ2BNR1H2LMNAPABPC1ATM
SCHEMBL6474229 0.86 BAZ2B (0.63) BAZ2BLMNAPABPC1ATMSMN1; SMN2
SCHEMBL6474214 0.83 LMNA (0.60) BAZ2BLMNATRPV1
SCHEMBL5362823 0.83 BAZ2B (0.66) BAZ2BLMNAPABPC1ATMSMN1; SMN2
SCHEMBL6483420 0.81 BAZ2B (0.45) BAZ2BNR1H2LMNAPABPC1ATM
SCHEMBL6481513 0.81 BAZ2B (0.46) BAZ2BLMNAPABPC1ATMSMN1; SMN2
SCHEMBL25420584 0.81 ESR2 (0.52) BAZ2BLMNAPABPC1ATMSMN1; SMN2
SCHEMBL6196157 0.80 HTR6 (0.53) BAZ2BLMNAPABPC1ATMSMN1; SMN2
SCHEMBL2832897 0.80 LMNA (0.76) BAZ2BLMNAPABPC1ATMSMN1; SMN2
SCHEMBL30228387 0.80 TRPV1 (0.59) BAZ2BLMNAPABPC1ATMSMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291738-B2 Therapeutic compounds PHARMACIA & UPJOHN COMPANY (US) 2007-11-06 — — US disclosed
US-7291738-B2 Therapeutic compounds PHARMACIA & UPJOHN COMPANY (US) 2007-11-06 — — US disclosed
US-20030181485-A1 A (2-methyl-3-pyridinyl)oxy)-3-pyridinyl)urea derivatives for treatment of a disease or disorder of the central nervous system, medical diagnosis PHARMACIA & UPJOHN COMPANY 2003-09-25 — — 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 (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-20030181485-A1 A (2-methyl-3-pyridinyl)oxy)-3-pyridinyl)urea derivatives for treatment of a disease or disorder of the central nervous system, medical diagnosis PMP22, TPMT, PNPO BAZ2B 3345/4885NR1H2 1446/4885LMNA 980/4885

“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.

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