SCHEMBL6693325

SCHEMBL6693325

CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2ccc(Cn3ccc4cc(Br)ccc43)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 7/20 0.45
▸ PPARG P37231 2/20 0.44
▸ VEGFA P15692 1/20 0.41
▸ EGLN1 Q9GZT9 1/20 0.41
▸ SMARCA2 P51531 1/20 0.41
▸ SMARCA4 P51532 1/20 0.41
▸ PBRM1 Q86U86 1/20 0.41
▸ ESRRB O95718 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ ESRRA P11474 1/20 0.41
▸ ESRRG P62508 1/20 0.41
▸ NR1H2 P55055 3/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ALK Q9UM73 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ CKS1B P61024 1/20 0.38
▸ SKP1 P63208 1/20 0.38
▸ SKP2 Q13309 1/20 0.38
▸ HDAC1 Q13547 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
SCHEMBL6694173 0.90 IDO1 (0.42) BACE1PPARGVEGFAEGLN1SMARCA2
SCHEMBL6693288 0.83 HTR7 (0.48) PPARGMAPK1
SCHEMBL6694787 0.80 HTR7 (0.48) PPARGHDAC1HDAC8HDAC6
SCHEMBL6253535 0.78 GPR119 (0.53) BACE1SMARCA2SMARCA4PBRM1ALK
SCHEMBL20676201 0.76 KRAS (0.47) BACE1
SCHEMBL20818663 0.74 CKS1B (0.58) BACE1SMARCA2SMARCA4PBRM1CKS1B
SCHEMBL6700145 0.73 HTR1A (0.40) PPARGHDAC1HDAC8HDAC6
SCHEMBL17063253 0.73 FPR2 (0.48) BACE1
SCHEMBL6228319 0.72 GPR119 (0.49) BACE1SMARCA2SMARCA4PBRM1ALK
SCHEMBL6266142 0.71 SMARCA2 (0.49) BACE1SMARCA2SMARCA4PBRM1CKS1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040229874-A1 5HT7 Antagonists and inverse agonists PFIZER INC. 2004-11-18 — — 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-20040229874-A1 5HT7 Antagonists and inverse agonists HTR7, HTR1A, HTR1B BACE1 2362/4885PPARG 1245/4885VEGFA 4446/4885

“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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