SCHEMBL2335973

SCHEMBL2335973

CC(C)(C)OC(=O)N1CCC2(CC1)CCN(Cc1ccc(Br)cc1)C2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.53
▸ HDAC8 Q9BY41 2/20 0.53
▸ HDAC6 Q9UBN7 2/20 0.53
▸ TP53 P04637 1/20 0.47
▸ JAK2 O60674 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ FPR2 P25090 3/20 0.42
▸ USP30 Q70CQ3 1/20 0.41
▸ RIPK1 Q13546 1/20 0.41
▸ VEGFA P15692 1/20 0.41
▸ EGLN1 Q9GZT9 1/20 0.41
▸ RORC P51449 1/20 0.41
▸ FPR3 P25089 2/20 0.40
▸ CTSB P07858 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ GPR119 Q8TDV5 1/20 0.40
▸ HSD11B1 P28845 1/20 0.40

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
SCHEMBL17608805 0.88 HDAC1 (0.55) HDAC1HDAC8HDAC6TP53OPRD1
SCHEMBL2338748 0.88 HDAC1 (0.50) HDAC1HDAC8HDAC6TP53OPRD1
SCHEMBL2339311 0.86 GPR119 (0.52) HDAC1HDAC8HDAC6GPR119
SCHEMBL21764937 0.86 CYP3A4 (0.52) HDAC1HDAC8HDAC6TP53JAK2
SCHEMBL6432691 0.85 HDAC1 (0.48) HDAC1HDAC8HDAC6TP53OPRD1
SCHEMBL2340026 0.81 HDAC1 (0.48) HDAC1HDAC8HDAC6TP53JAK2
SCHEMBL30328635 0.81 HDAC1 (0.44) HDAC1HDAC8HDAC6TP53JAK2
SCHEMBL24718689 0.81 RIPK1 (0.65) HDAC1HDAC8HDAC6TP53OPRD1
SCHEMBL2338998 0.80 RORC (0.43) HDAC1HDAC8HDAC6RORC
SCHEMBL2341309 0.80 RORC (0.43) HDAC1HDAC8HDAC6RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786815-B1 SPIRO COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY VIROCHEM PHARMA INC (CA) 2011-08-24 — — EP disclosed
EP-1786815-B1 SPIRO COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY VIROCHEM PHARMA INC (CA) 2011-08-24 — — EP disclosed
US-7288548-B2 Spiro compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA, INC. (CA) 2007-10-30 — — US disclosed
US-7288548-B2 Spiro compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA, INC. (CA) 2007-10-30 — — US disclosed
US-7288548-B2 Spiro compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA, INC. (CA) 2007-10-30 — — US disclosed
US-20050075326-A1 Spiro compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA INC (CA) 2005-04-07 — — US disclosed
US-20050070563-A1 Spiro compounds and methods for the modulation of chemokine receptor activity VIRO CHEM PHARMA, INC. (CA) 2005-03-31 — — 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-20050075326-A1 Spiro compounds and methods for the modulation of chemokine receptor activity CXCR1, CXCR4, CXCR2 HDAC1 356/4885HDAC8 939/4885HDAC6 676/4885
US-20050070563-A1 Spiro compounds and methods for the modulation of chemokine receptor activity CXCR1, CCR5, CXCR2 HDAC1 429/4885HDAC8 965/4885HDAC6 716/4885

“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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