SCHEMBL2338748

SCHEMBL2338748

CSc1ccc(CN2CCC3(CCN(C(=O)OC(C)(C)C)CC3)C2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.50
▸ HDAC8 Q9BY41 2/20 0.50
▸ HDAC6 Q9UBN7 2/20 0.50
▸ GPR119 Q8TDV5 3/20 0.49
▸ TP53 P04637 1/20 0.46
▸ OPRD1 P41143 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ USP30 Q70CQ3 1/20 0.41
▸ RIPK1 Q13546 1/20 0.41
▸ VEGFA P15692 1/20 0.40
▸ EGLN1 Q9GZT9 1/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL6432691 0.90 HDAC1 (0.48) HDAC1HDAC8HDAC6GPR119TP53
SCHEMBL2335973 0.88 HDAC1 (0.53) HDAC1HDAC8HDAC6GPR119TP53
SCHEMBL17608805 0.87 HDAC1 (0.55) HDAC1HDAC8HDAC6GPR119TP53
SCHEMBL2339311 0.85 GPR119 (0.52) HDAC1HDAC8HDAC6GPR119
SCHEMBL21764937 0.85 CYP3A4 (0.52) HDAC1HDAC8HDAC6GPR119TP53
SCHEMBL2340518 0.83 RIPK1 (0.48) RIPK1SMN1; SMN2ALDH1A1LMNAMAPK1
SCHEMBL5368010 0.80 SMN1; SMN2 (0.58) GPR119VEGFAEGLN1SMN1; SMN2ALDH1A1
SCHEMBL24718689 0.80 RIPK1 (0.65) HDAC1HDAC8HDAC6GPR119TP53
SCHEMBL17761442 0.79 HDAC1 (0.54) HDAC1HDAC8HDAC6GPR119TP53
SCHEMBL31008097 0.78 USP30 (0.43) HDAC1HDAC8HDAC6USP30SMN1; 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 6 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
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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